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rdkit/Projects/DbCLI/testData/pubchem.200.sdf
Greg Landrum 144a0a14dc backup update, getting ready to setup tests
2007-10-04 05:33:44 +00:00

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6603170
22 22 0 0 0 0 0 0 0 0999 V2000
4.1679 8.3435 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
5.2988 3.1350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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5.2988 4.8671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2988 1.4030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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7.2988 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.2152 4.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 4.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.4030 5.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
> <PUBCHEM_COMPOUND_CID> (1)
6603170
$$$$
6602966
28 29 0 0 0 0 0 0 0 0999 V2000
0.0000 5.9055 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
8.1706 6.9514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7454 11.4978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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7.4562 10.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1026 9.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4347 10.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7239 11.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 14 1 0
3 27 1 0
3 28 1 0
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18 21 2 0
18 22 1 0
19 20 1 0
21 25 1 0
22 26 2 0
25 27 2 0
26 27 1 0
M END
> <PUBCHEM_COMPOUND_CID> (2)
6602966
$$$$
6602949
29 29 0 0 0 0 0 0 0 0999 V2000
0.0000 6.7615 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 3.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 3.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 9.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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5.5981 4.9030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3301 11.9030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 1.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 1.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.2321 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.5981 7.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 7.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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18 25 1 0
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20 23 1 0
24 27 1 0
25 28 2 0
26 27 2 0
26 28 1 0
26 29 1 0
M END
> <PUBCHEM_COMPOUND_CID> (3)
6602949
$$$$
6602842
18 18 0 0 0 0 0 0 0 0999 V2000
3.9341 5.2400 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
4.8671 0.6200 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.5991 0.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.7331 2.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5369 2.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1350 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0010 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4651 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4651 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7331 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5991 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3312 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3312 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5369 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 7 1 0
2 11 1 0
3 10 2 0
3 11 1 0
4 11 2 0
4 14 1 0
5 17 2 0
5 18 1 0
6 7 1 0
6 8 1 0
8 12 2 0
8 13 1 0
9 10 1 0
9 14 2 0
9 15 1 0
10 16 1 0
12 17 1 0
13 18 2 0
M END
> <PUBCHEM_COMPOUND_CID> (4)
6602842
$$$$
6602774
35 37 0 0 0 0 0 0 0 0999 V2000
6.9947 7.0811 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
11.8613 4.0940 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.5991 5.0699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3312 5.0699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 2.5699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1350 1.0699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.8613 2.0457 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.5895 1.0391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.7331 3.5699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0010 2.5699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.3312 2.0699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.8574 1.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7292 2.5424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7215 0.5424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5933 2.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9972 2.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8671 4.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7331 2.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0010 3.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8671 2.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1972 2.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0911 2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1972 3.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4651 3.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5991 4.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9972 3.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4536 0.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3312 4.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4651 2.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0911 4.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3312 1.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1350 2.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4651 0.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 2.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5369 2.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 26 1 0
3 25 2 0
4 28 2 0
5 32 1 0
5 34 1 0
6 32 2 0
7 12 1 0
7 13 1 0
7 16 1 0
8 14 1 0
8 15 1 0
8 27 1 0
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10 19 1 0
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26 30 1 0
31 33 1 0
34 35 1 0
M END
> <PUBCHEM_COMPOUND_CID> (5)
6602774
$$$$
6602679
19 19 0 0 0 0 0 0 0 0999 V2000
0.0000 4.1415 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
6.3525 2.7059 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.1891 8.7005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4571 5.7005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1891 6.7005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3231 4.2005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5435 4.1072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8744 3.3640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3231 7.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0551 7.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3231 8.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0551 8.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1891 5.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3231 5.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9677 1.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9731 1.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4571 3.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3744 2.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5664 0.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 17 1 0
2 18 1 0
3 11 1 0
3 12 1 0
4 14 2 0
5 9 1 0
5 10 1 0
5 13 1 0
6 14 1 0
6 17 1 0
7 8 1 0
7 17 2 0
8 18 2 0
9 11 1 0
10 12 1 0
13 14 1 0
15 16 1 0
15 18 1 0
16 19 1 0
M END
> <PUBCHEM_COMPOUND_CID> (6)
6602679
$$$$
6602537
18 18 0 0 0 0 0 0 0 0999 V2000
0.0000 4.7073 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.8637 5.9679 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.1425 4.2078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0894 8.6040 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4515 5.1588 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.7605 4.2078 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6826 7.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2704 6.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0839 8.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5016 9.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9515 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4515 5.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9515 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8175 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0854 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8175 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0854 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9515 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 8 1 0
2 12 1 0
3 12 1 0
3 13 1 0
4 7 1 0
4 9 1 0
4 10 1 0
5 6 1 0
5 12 2 0
6 13 2 0
7 8 1 0
11 13 1 0
11 14 2 0
11 15 1 0
14 16 1 0
15 17 2 0
16 18 2 0
17 18 1 0
M END
> <PUBCHEM_COMPOUND_CID> (7)
6602537
$$$$
6449251
26 27 0 0 0 0 0 0 0 0999 V2000
0.0000 3.8614 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
4.6354 0.0826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0316 6.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0316 4.5585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7694 3.5826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6354 5.0826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6354 2.0826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6354 6.0826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5014 6.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3675 6.0826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3675 5.0826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5014 4.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6354 6.0826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1354 6.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2614 6.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2614 4.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5014 3.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1675 6.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1675 5.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6354 3.0826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7694 1.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5014 1.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7694 0.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5014 0.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0277 7.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0277 3.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 23 1 0
2 24 1 0
3 18 1 0
3 25 1 0
4 19 1 0
4 26 1 0
5 20 2 0
6 8 1 0
6 12 1 0
7 20 1 0
7 21 1 0
7 22 1 0
8 9 1 0
8 13 1 0
8 14 1 0
9 10 1 0
10 11 2 0
10 15 1 0
11 12 1 0
11 16 1 0
12 17 2 0
15 18 2 0
16 19 2 0
17 20 1 0
18 19 1 0
21 23 1 0
22 24 1 0
M END
> <PUBCHEM_COMPOUND_CID> (8)
6449251
$$$$
5765352
19 21 0 0 0 0 0 0 0 0999 V2000
4.6783 0.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -0.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2619 1.7321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 -1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2619 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2619 -1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7619 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0
1 13 1 0
2 12 2 0
2 14 1 0
3 17 3 0
4 5 1 0
4 6 1 0
4 8 1 0
5 7 1 0
6 9 1 0
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8 11 2 0
9 10 2 0
11 12 1 0
11 17 1 0
13 14 2 0
13 15 1 0
14 16 1 0
15 18 2 0
16 19 2 0
18 19 1 0
M END
> <PUBCHEM_COMPOUND_CID> (9)
5765352
$$$$
5748605
22 24 0 0 0 0 0 0 0 0999 V2000
6.3301 2.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8603 2.2568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0901 0.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0901 2.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 1.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 0.7119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0
1 12 1 0
2 14 1 0
2 21 1 0
3 16 1 0
3 22 1 0
4 9 2 0
5 19 1 0
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14 16 2 0
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16 18 1 0
17 19 2 0
19 20 1 0
M END
> <PUBCHEM_COMPOUND_CID> (10)
5748605
$$$$
5742580
13 14 0 0 0 0 0 0 0 0999 V2000
6.0634 1.9127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5897 -1.5297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3328 -0.8606 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5929 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9019 -1.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5929 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0929 -0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2839 -1.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0929 0.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9589 0.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8724 0.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5416 1.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0416 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0
1 13 1 0
2 3 1 0
3 8 2 0
4 5 1 0
4 6 1 0
5 7 1 0
6 8 1 0
7 8 1 0
7 9 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
M END
> <PUBCHEM_COMPOUND_CID> (11)
5742580
$$$$
5742560
27 29 0 0 0 0 0 0 0 0999 V2000
5.9709 1.0731 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
9.8259 -1.6821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3496 2.9742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0938 -1.6821 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2278 -0.1821 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2816 -1.4869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6980 -0.6821 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4141 3.5928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3675 0.9475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2278 -1.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0938 -2.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0938 0.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9598 -0.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9598 -1.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9598 -3.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2816 0.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0778 1.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8698 0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9598 -4.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9758 1.8871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8779 1.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9924 1.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6817 2.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7032 2.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3926 3.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0604 4.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0354 1.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 16 1 0
1 22 1 0
2 14 2 0
3 23 2 0
4 10 1 0
4 11 1 0
4 14 1 0
5 10 1 0
5 12 1 0
5 16 1 0
6 7 1 0
6 10 2 0
7 16 2 0
8 25 1 0
9 27 3 0
11 15 1 0
12 13 2 0
12 17 1 0
13 14 1 0
13 18 1 0
15 19 1 0
17 20 2 0
18 21 2 0
20 21 1 0
22 23 1 0
23 24 1 0
24 25 2 0
24 27 1 0
25 26 1 0
M END
> <PUBCHEM_COMPOUND_CID> (12)
5742560
$$$$
5742518
24 26 0 0 0 0 0 0 0 0999 V2000
2.5369 -1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 0.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3591 2.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3591 0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2651 1.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2651 0.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 14 1 0
2 13 2 0
3 5 1 0
4 10 2 0
4 16 1 0
5 8 1 0
6 8 1 0
6 10 1 0
7 8 2 0
7 11 1 0
7 13 1 0
9 11 2 0
9 12 1 0
9 14 1 0
10 17 1 0
12 20 1 0
13 18 1 0
14 18 2 0
15 16 2 0
15 19 1 0
15 21 1 0
16 22 1 0
17 19 2 0
21 23 2 0
22 24 2 0
23 24 1 0
M END
> <PUBCHEM_COMPOUND_CID> (13)
5742518
$$$$
5453475
25 28 0 0 0 0 0 0 0 0999 V2000
4.6783 2.8845 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.5406 0.3197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.9528 -2.2540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 2.0798 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.5052 -0.0026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8497 2.8888 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 1.2750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.8007 1.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6097 0.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8007 2.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8497 1.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 2.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3142 -0.5903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5233 1.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6097 3.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2097 -1.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3437 -2.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5516 -3.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5461 -3.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0
1 16 1 0
2 11 2 0
3 18 1 0
3 25 1 0
4 6 1 0
4 11 1 0
4 12 1 0
5 9 1 0
5 13 1 0
6 10 2 0
7 12 2 0
7 17 1 0
8 9 2 0
8 10 1 0
8 11 1 0
9 14 1 0
10 15 1 0
13 18 1 0
16 17 2 0
16 19 1 0
17 20 1 0
18 21 2 0
19 22 2 0
20 23 2 0
21 24 1 0
22 23 1 0
24 25 2 0
M END
> <PUBCHEM_COMPOUND_CID> (14)
5453475
$$$$
5389168
25 27 0 0 0 0 0 0 0 0999 V2000
4.5981 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 16 2 0
2 24 1 0
2 25 1 0
3 24 2 0
4 7 1 0
4 9 1 0
5 8 1 0
5 12 1 0
6 7 1 0
6 8 2 0
7 10 2 0
8 11 1 0
9 11 2 0
9 13 1 0
10 16 1 0
10 17 1 0
12 14 2 0
12 15 1 0
14 19 1 0
15 20 2 0
16 21 1 0
17 22 2 0
18 19 2 0
18 20 1 0
18 24 1 0
21 23 2 0
22 23 1 0
M END
> <PUBCHEM_COMPOUND_CID> (15)
5389168
$$$$
5310761
24 27 0 0 0 0 0 0 0 0999 V2000
6.8069 2.0146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7161 -1.6419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9609 1.3983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8069 -0.9854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3370 2.0388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0749 0.0146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9409 0.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -0.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9718 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1671 0.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9409 1.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8069 0.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6729 0.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6729 1.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -2.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -0.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5669 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0749 2.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5669 2.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -2.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4730 0.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4730 1.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0
1 15 1 0
2 10 2 0
3 11 2 0
4 13 2 0
5 24 1 0
6 7 1 0
6 10 1 0
6 11 1 0
7 12 2 0
7 13 1 0
8 9 2 0
8 10 1 0
8 16 1 0
9 11 1 0
9 17 1 0
12 19 1 0
13 14 1 0
14 15 2 0
14 18 1 0
15 20 1 0
16 21 2 0
17 22 2 0
18 23 2 0
20 24 2 0
21 22 1 0
23 24 1 0
M END
> <PUBCHEM_COMPOUND_CID> (16)
5310761
$$$$
5310351
30 33 0 0 0 0 0 0 0 0999 V2000
9.7260 0.5372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.0372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.9628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.0372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1424 -0.2675 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1424 1.3419 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.4628 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.0372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.0372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4530 -1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7260 0.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.4628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7852 -1.9624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4315 -1.4243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0959 -2.9129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7422 -2.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0744 -3.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.4628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.4628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4280 -3.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.4628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 13 2 0
2 20 1 0
2 29 1 0
3 28 1 0
3 30 1 0
4 23 2 0
5 10 1 0
5 12 1 0
5 13 1 0
6 11 1 0
6 13 1 0
7 10 1 0
7 15 2 0
8 14 2 0
8 15 1 0
9 23 1 0
10 11 2 0
11 14 1 0
12 17 2 0
12 18 1 0
14 23 1 0
15 16 1 0
16 20 2 0
16 24 1 0
17 19 1 0
18 21 2 0
19 22 2 0
19 26 1 0
20 25 1 0
21 22 1 0
24 27 2 0
25 28 2 0
27 28 1 0
M END
> <PUBCHEM_COMPOUND_CID> (17)
5310351
$$$$
5310253
18 19 0 0 0 0 0 0 0 0999 V2000
6.3301 3.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 16 1 0
2 10 1 0
2 12 1 0
3 9 2 0
4 12 2 0
5 7 1 0
5 8 1 0
6 8 2 0
6 9 1 0
6 12 1 0
7 13 2 0
7 14 1 0
9 11 1 0
10 11 2 0
10 15 1 0
13 16 1 0
14 17 2 0
16 18 2 0
17 18 1 0
M END
> <PUBCHEM_COMPOUND_CID> (18)
5310253
$$$$
5310170
24 27 0 0 0 0 0 0 0 0999 V2000
6.7902 -0.0317 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.6092 -1.8683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7024 1.6434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7024 -0.0887 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7413 1.2773 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6875 -0.0274 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2024 -0.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2079 -1.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7024 -0.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2024 0.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7902 1.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2024 0.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7413 0.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6875 1.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2711 0.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4812 2.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2711 0.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7711 1.6434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7711 -0.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7711 1.6434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7711 -0.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2711 0.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0
1 15 1 0
2 7 1 0
2 10 1 0
3 14 2 0
4 11 1 0
4 14 1 0
5 13 1 0
5 15 1 0
5 16 1 0
6 15 2 0
6 17 1 0
7 8 1 0
7 11 1 0
8 9 1 0
9 10 1 0
12 13 2 0
12 14 1 0
13 18 1 0
16 17 2 0
17 19 1 0
19 20 2 0
19 21 1 0
20 22 1 0
21 23 2 0
22 24 2 0
23 24 1 0
M END
> <PUBCHEM_COMPOUND_CID> (19)
5310170
$$$$
5310146
28 32 0 0 0 0 0 0 0 0999 V2000
7.1511 0.0226 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
13.3980 1.3219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.3980 -0.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1216 2.5172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6729 0.6808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5059 -0.9223 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9877 1.0172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3421 1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2556 1.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1729 -0.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7011 0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8537 1.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7197 1.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1216 1.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1342 2.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4518 1.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5857 1.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4518 0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7197 0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5857 -0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9816 0.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0
1 10 1 0
2 18 1 0
2 23 1 0
3 20 1 0
3 23 1 0
4 15 2 0
5 8 1 0
5 10 1 0
5 11 1 0
6 10 2 0
6 12 1 0
7 13 1 0
7 15 1 0
8 9 2 0
8 16 1 0
9 15 1 0
11 12 2 0
12 17 1 0
13 14 1 0
14 19 1 0
14 21 2 0
17 24 2 0
17 25 1 0
18 19 2 0
18 20 1 0
20 22 2 0
21 22 1 0
24 26 1 0
25 27 2 0
26 28 2 0
27 28 1 0
M END
> <PUBCHEM_COMPOUND_CID> (20)
5310146
$$$$
5310000
25 27 0 0 0 0 0 0 0 0999 V2000
3.7321 1.3133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.6867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5443 0.1180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1279 -0.6867 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.6867 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5443 -1.4915 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.1867 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1279 -0.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8550 1.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6279 -1.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6279 0.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6279 -1.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8335 1.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1279 -0.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1279 -2.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1441 2.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1279 -0.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1279 -2.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6279 -1.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1226 2.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 13 2 0
2 15 2 0
3 8 1 0
3 9 1 0
3 11 1 0
4 9 1 0
4 12 1 0
4 14 1 0
5 10 1 0
5 15 1 0
5 17 1 0
6 9 2 0
6 10 1 0
7 13 1 0
7 15 1 0
8 10 2 0
8 13 1 0
11 18 1 0
12 16 1 0
16 19 2 0
16 20 1 0
18 21 2 0
19 22 1 0
20 23 2 0
21 25 1 0
22 24 2 0
23 24 1 0
M END
> <PUBCHEM_COMPOUND_CID> (21)
5310000
$$$$
5309891
25 28 0 0 0 0 0 0 0 0999 V2000
2.0000 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1424 0.5547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1424 -1.0547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7260 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7260 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 23 1 0
1 25 1 0
2 4 1 0
2 7 1 0
2 11 1 0
3 9 1 0
3 11 2 0
4 15 1 0
5 11 1 0
5 15 2 0
6 15 1 0
7 8 1 0
7 10 1 0
8 9 1 0
9 12 1 0
10 13 2 0
10 14 1 0
12 16 2 0
12 17 1 0
13 18 1 0
14 19 2 0
16 21 1 0
17 22 2 0
18 20 2 0
18 24 1 0
19 20 1 0
21 23 2 0
22 23 1 0
M END
> <PUBCHEM_COMPOUND_CID> (22)
5309891
$$$$
5309639
28 31 0 0 0 0 0 0 0 0999 V2000
5.5443 -0.0727 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.1279 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8550 2.4873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6279 -0.1340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1279 0.7321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.2679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.6279 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1279 0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1279 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1279 0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1279 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6279 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6279 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1279 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1279 0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1279 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6279 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5443 1.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6279 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1279 -2.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1279 -2.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0
1 22 1 0
2 13 2 0
3 18 2 0
4 10 1 0
4 11 1 0
4 13 1 0
5 15 1 0
5 18 1 0
6 22 2 0
6 26 1 0
7 8 1 0
7 9 1 0
7 12 1 0
8 10 1 0
9 11 1 0
12 14 1 0
13 15 1 0
14 16 2 0
14 17 1 0
16 19 1 0
17 20 2 0
18 21 1 0
19 23 2 0
20 23 1 0
21 22 1 0
21 24 2 0
24 25 1 0
24 27 1 0
25 26 2 0
26 28 1 0
M END
> <PUBCHEM_COMPOUND_CID> (23)
5309639
$$$$
5309399
32 36 0 0 0 0 0 0 0 0999 V2000
7.1567 -1.0770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.7920 -2.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9259 -4.2942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5783 1.2364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.5139 0.6178 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.1137 -1.4895 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.5301 -2.2942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5353 0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8675 0.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2247 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8890 0.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2462 1.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5998 1.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8245 -0.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2892 2.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8030 -0.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0599 -1.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3107 2.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9570 3.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9259 -1.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0599 -2.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7920 -1.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1137 -3.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6463 4.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9099 -0.2527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9259 -3.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6678 4.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8079 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7020 -1.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7100 -0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8041 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 14 2 0
2 22 1 0
2 27 1 0
3 27 2 0
4 11 1 0
4 12 1 0
4 13 1 0
5 8 1 0
5 14 1 0
6 7 1 0
6 16 1 0
6 17 1 0
7 23 2 0
8 9 1 0
8 10 1 0
9 11 1 0
10 12 1 0
13 15 1 0
14 16 1 0
15 18 2 0
15 19 1 0
17 20 1 0
17 21 2 0
18 24 1 0
19 25 2 0
20 22 2 0
20 26 1 0
21 23 1 0
21 27 1 0
22 30 1 0
24 28 2 0
25 28 1 0
26 29 2 0
29 31 1 0
29 32 1 0
30 31 2 0
M END
> <PUBCHEM_COMPOUND_CID> (24)
5309399
$$$$
5309294
32 34 0 0 0 0 0 0 0 0999 V2000
6.3301 -0.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8301 0.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8301 -1.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2788 -2.4524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 -1.5864 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3007 -2.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1097 -0.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5575 -2.9137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3176 0.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0
1 4 2 0
1 8 1 0
1 21 1 0
2 18 2 0
5 9 1 0
5 24 1 0
6 28 1 0
6 31 1 0
7 12 1 0
7 18 1 0
8 19 1 0
8 20 1 0
9 25 2 0
10 11 1 0
10 12 1 0
10 16 1 0
11 13 1 0
11 17 1 0
12 14 1 0
13 15 1 0
14 15 1 0
18 19 1 0
20 22 2 0
20 23 1 0
21 24 2 0
21 25 1 0
22 26 1 0
23 27 2 0
24 29 1 0
25 30 1 0
26 28 2 0
27 28 1 0
31 32 1 0
M END
> <PUBCHEM_COMPOUND_CID> (25)
5309294
$$$$
5308990
32 35 0 0 0 0 0 0 0 0999 V2000
5.5443 0.3603 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
14.6279 -3.1651 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.1279 -0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8550 2.9203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.6279 -1.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.6279 -1.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6279 0.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1279 1.1651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.1651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.1279 -2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1279 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1279 -2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1279 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6279 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1279 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.6279 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1279 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.1279 -2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.1279 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.1279 -2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.1279 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6279 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1279 1.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.6279 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5443 1.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 3.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0
1 27 1 0
2 18 1 0
3 22 2 0
4 26 2 0
5 10 1 0
5 11 1 0
5 14 1 0
6 12 1 0
6 13 1 0
6 16 1 0
7 17 1 0
7 22 1 0
8 23 1 0
8 26 1 0
9 27 2 0
9 30 1 0
10 12 1 0
11 13 1 0
14 15 1 0
15 17 1 0
16 18 2 0
16 19 1 0
18 20 1 0
19 21 2 0
20 24 2 0
21 24 1 0
22 23 1 0
25 26 1 0
25 27 1 0
25 28 2 0
28 29 1 0
28 31 1 0
29 30 2 0
30 32 1 0
M END
> <PUBCHEM_COMPOUND_CID> (26)
5308990
$$$$
5308954
32 34 0 0 0 0 0 0 0 0999 V2000
6.3301 -0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -5.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.2788 -1.9524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8301 -1.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8301 0.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 -1.0864 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3007 -1.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1097 -0.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5575 -2.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3176 0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 5 2 0
1 6 2 0
1 9 1 0
1 12 1 0
2 29 1 0
3 31 1 0
4 10 1 0
4 15 1 0
7 24 1 0
7 28 1 0
8 19 2 0
9 13 1 0
9 14 1 0
10 16 2 0
11 19 1 0
11 25 1 0
12 15 2 0
12 16 1 0
13 19 1 0
14 17 2 0
14 18 1 0
15 20 1 0
16 21 1 0
17 22 1 0
18 23 2 0
22 24 2 0
23 24 1 0
25 26 2 0
25 27 1 0
26 29 1 0
27 30 2 0
28 32 1 0
29 31 2 0
30 31 1 0
M END
> <PUBCHEM_COMPOUND_CID> (27)
5308954
$$$$
5308266
28 30 0 0 0 0 0 0 0 0999 V2000
4.9249 5.5965 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.9055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -5.9055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.9055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9641 1.1333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9641 1.1333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.9055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6551 0.1823 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2242 -0.1268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5519 1.9423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1452 2.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2731 0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1506 2.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7329 3.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7439 3.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3262 4.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3317 4.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -4.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -4.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5127 6.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -6.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 20 1 0
1 27 1 0
2 21 1 0
2 26 1 0
3 24 1 0
3 28 1 0
4 17 2 0
5 6 1 0
5 10 1 0
5 12 1 0
6 8 2 0
7 16 1 0
7 17 1 0
8 13 1 0
9 12 1 0
10 11 1 0
11 14 2 0
11 15 1 0
12 13 2 0
13 17 1 0
14 18 1 0
15 19 2 0
16 21 2 0
16 22 1 0
18 20 2 0
19 20 1 0
21 23 1 0
22 25 2 0
23 24 2 0
24 25 1 0
M END
> <PUBCHEM_COMPOUND_CID> (28)
5308266
$$$$
5308042
30 33 0 0 0 0 0 0 0 0999 V2000
7.1391 -3.1444 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.9434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.5566 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.9434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 4.4434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5211 -3.1444 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8301 -4.0955 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4179 -4.9045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 4.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8301 -4.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 4.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 5.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 4.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 5.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1089 -5.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4179 -4.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 6.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 5.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9179 -6.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7269 -5.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 15 1 0
1 19 1 0
2 14 2 0
3 12 1 0
3 13 1 0
3 15 1 0
4 14 1 0
4 16 1 0
5 17 1 0
5 18 1 0
5 20 1 0
6 7 1 0
6 15 2 0
7 19 2 0
8 19 1 0
8 24 1 0
8 25 1 0
9 10 1 0
9 11 1 0
9 14 1 0
10 12 1 0
11 13 1 0
16 17 1 0
18 21 1 0
20 22 2 0
20 23 1 0
22 26 1 0
23 27 2 0
24 29 2 0
25 30 2 0
26 28 2 0
27 28 1 0
29 30 1 0
M END
> <PUBCHEM_COMPOUND_CID> (29)
5308042
$$$$
5307338
22 25 0 0 0 0 0 0 0 0999 V2000
4.6660 -0.6053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9176 -1.6399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7889 2.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0619 0.3947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4783 -0.4101 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 0.8947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 0.8947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -0.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -0.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 1.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4783 1.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0619 0.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -0.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 1.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.9155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5619 1.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5619 -0.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5619 1.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5619 -0.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0619 0.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0574 -2.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0
1 9 1 0
2 13 1 0
2 22 1 0
3 11 2 0
4 5 1 0
4 11 1 0
4 12 1 0
5 8 2 0
6 8 1 0
6 10 2 0
6 11 1 0
7 9 2 0
7 10 1 0
7 14 1 0
9 13 1 0
12 17 2 0
12 18 1 0
13 15 2 0
14 16 2 0
15 16 1 0
17 19 1 0
18 20 2 0
19 21 2 0
20 21 1 0
M END
> <PUBCHEM_COMPOUND_CID> (30)
5307338
$$$$
5307139
29 32 0 0 0 0 0 0 0 0999 V2000
6.4888 -1.6151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.1241 -3.3323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2581 -4.8323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2677 2.3932 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8460 0.0797 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4458 -2.0276 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.8622 -2.8323 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9785 3.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6249 4.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6463 4.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2892 2.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9355 3.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5783 1.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.7561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2927 4.8323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5568 1.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8675 0.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1567 -0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1352 -1.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3921 -2.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3921 -3.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2581 -1.8323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1241 -2.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4458 -3.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2581 -3.8323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2420 -0.7908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0341 -1.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1401 -0.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0421 -0.7839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 18 2 0
2 23 1 0
2 25 1 0
3 25 2 0
4 11 1 0
4 12 1 0
4 13 1 0
5 17 1 0
5 18 1 0
6 7 1 0
6 19 1 0
6 20 1 0
7 24 2 0
8 10 1 0
8 11 1 0
8 14 1 0
9 10 1 0
9 12 1 0
9 15 1 0
13 16 1 0
16 17 1 0
18 19 1 0
20 21 2 0
20 22 1 0
21 24 1 0
21 25 1 0
22 23 2 0
22 26 1 0
23 27 1 0
26 28 2 0
27 29 2 0
28 29 1 0
M END
> <PUBCHEM_COMPOUND_CID> (31)
5307139
$$$$
5307105
28 31 0 0 0 0 0 0 0 0999 V2000
7.5000 0.8804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.3959 -1.9856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 -1.7176 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -1.7176 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.5836 0.8191 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.5000 -0.8516 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.2619 -0.4856 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5000 -2.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5000 -0.8516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -2.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -0.8516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0000 -1.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5000 -0.8516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5298 0.5144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5298 -0.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0000 0.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3959 1.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5836 -0.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2619 0.5144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0000 0.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3959 -0.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2729 1.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3798 2.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1719 1.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1279 -0.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2778 2.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1799 2.0629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 21 2 0
2 22 2 0
3 8 1 0
3 9 1 0
3 12 1 0
4 10 1 0
4 11 1 0
4 14 1 0
5 15 1 0
5 17 1 0
5 23 1 0
6 13 1 0
6 21 1 0
7 20 1 0
7 22 1 0
7 26 1 0
8 10 1 0
9 11 1 0
12 13 1 0
15 16 2 0
15 18 1 0
16 19 1 0
16 22 1 0
17 19 2 0
17 21 1 0
18 20 2 0
18 24 1 0
20 25 1 0
24 27 2 0
25 28 2 0
27 28 1 0
M END
> <PUBCHEM_COMPOUND_CID> (32)
5307105
$$$$
5282186
33 36 0 0 0 0 0 0 0 0999 V2000
6.9338 1.9246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0678 -1.5754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1837 1.8311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9338 -2.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6822 -2.1100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6839 -1.9818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4037 0.9488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.5194 -2.1530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5357 -0.6029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1854 1.9592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4075 -2.0995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0678 0.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7998 0.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9338 0.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0678 -0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1738 0.9593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6938 0.9593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7998 -0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9338 -1.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1738 -1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5998 0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2678 0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6938 -1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1838 1.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5998 -0.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2678 -0.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5310 1.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3252 2.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0572 2.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5310 -1.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4037 -1.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4748 0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4748 -0.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14 1 1 1
15 2 1 1
17 3 1 6
4 19 2 0
5 23 1 0
6 20 2 0
7 22 2 0
8 30 1 0
9 31 1 0
16 10 1 1
10 28 1 0
10 29 1 0
11 31 1 0
12 14 1 1
12 15 1 0
12 16 1 0
13 14 1 1
13 17 1 0
13 18 1 0
15 19 1 0
15 20 1 0
16 22 1 0
17 21 1 0
17 24 1 0
18 19 1 0
18 23 2 0
20 26 1 0
21 25 2 0
21 27 1 0
22 26 1 0
23 25 1 0
25 30 1 0
26 31 2 0
27 32 2 0
30 33 2 0
32 33 1 0
M END
> <PUBCHEM_COMPOUND_CID> (33)
5282186
$$$$
5084818
33 37 0 0 0 0 0 0 0 0999 V2000
9.7454 2.8422 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.2011 1.0374 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.9332 4.0374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3938 -4.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.6296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4691 0.0374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0671 2.5374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9332 1.0374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3351 -1.4626 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.3290 2.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7454 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7992 1.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7992 2.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9332 3.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2011 3.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3290 2.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0671 1.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3351 2.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4691 3.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2011 0.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6030 2.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4691 4.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3351 -0.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7370 3.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6030 4.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4691 -1.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7370 4.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6030 -3.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7370 -2.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4691 -2.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6030 -1.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7370 -1.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4051 -4.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0
1 13 1 0
2 17 1 0
2 20 1 0
3 14 2 0
4 28 1 0
4 33 1 0
5 29 1 0
5 33 1 0
6 23 2 0
7 14 1 0
7 15 1 0
7 17 1 0
8 12 1 0
8 17 2 0
9 23 1 0
9 26 1 0
10 11 1 0
10 16 1 0
11 12 1 0
12 13 2 0
13 14 1 0
15 18 1 0
18 19 1 0
19 21 2 0
19 22 1 0
20 23 1 0
21 24 1 0
22 25 2 0
24 27 2 0
25 27 1 0
26 30 2 0
26 31 1 0
28 29 2 0
28 30 1 0
29 32 1 0
31 32 2 0
M END
> <PUBCHEM_COMPOUND_CID> (34)
5084818
$$$$
5076890
27 30 0 0 0 0 0 0 0 0999 V2000
2.6691 -0.5933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4781 1.9945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8410 -2.0241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7128 -0.5275 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.4448 -0.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5769 -1.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3089 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9808 -0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0747 -1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8449 -1.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9808 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0747 1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1769 -0.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4781 -1.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -2.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 2.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 20 1 0
1 26 1 0
2 21 1 0
2 27 1 0
3 16 2 0
4 8 1 0
4 16 1 0
5 10 2 0
5 13 1 0
6 12 2 0
6 15 1 0
7 8 1 0
7 9 1 0
9 19 1 0
10 12 1 0
10 14 1 0
11 14 2 0
11 16 1 0
11 17 1 0
12 18 1 0
13 15 2 0
13 20 1 0
15 21 1 0
17 18 2 0
20 22 2 0
21 23 2 0
22 24 1 0
23 25 1 0
24 26 2 0
25 27 2 0
M END
> <PUBCHEM_COMPOUND_CID> (35)
5076890
$$$$
4673121
22 24 0 0 0 0 0 0 0 0999 V2000
10.7404 -1.5547 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.7404 0.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3241 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0511 1.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0
1 14 1 0
2 9 2 0
3 15 2 0
4 7 1 0
4 8 1 0
4 9 1 0
5 12 1 0
5 15 1 0
6 8 2 0
6 16 1 0
7 14 2 0
7 17 1 0
9 10 1 0
10 15 1 0
10 16 2 0
11 13 1 0
11 18 2 0
11 19 1 0
12 20 2 0
12 21 1 0
13 22 1 0
18 20 1 0
19 21 2 0
M END
> <PUBCHEM_COMPOUND_CID> (36)
4673121
$$$$
4577121
21 23 0 0 0 0 0 0 0 0999 V2000
4.5981 1.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
9.0084 -1.5547 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.0084 0.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5920 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3191 1.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 17 1 0
2 9 1 0
2 12 1 0
3 10 2 0
4 15 2 0
5 8 1 0
5 9 1 0
5 10 1 0
6 9 2 0
6 14 1 0
7 15 1 0
7 16 1 0
8 12 2 0
8 13 1 0
10 11 1 0
11 14 2 0
11 15 1 0
16 17 2 0
16 18 1 0
17 19 1 0
18 20 2 0
19 21 2 0
20 21 1 0
M END
> <PUBCHEM_COMPOUND_CID> (37)
4577121
$$$$
4108660
32 34 0 0 0 0 0 0 0 0999 V2000
15.0564 -1.0241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.0564 1.0241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2862 -1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2862 1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1923 -0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1923 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0526 -2.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0526 2.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.9166 -2.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.9166 2.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 18 1 0
1 26 1 0
2 19 1 0
2 27 1 0
3 13 2 0
4 15 2 0
5 25 2 0
6 31 1 0
6 32 1 0
7 11 1 0
7 13 1 0
7 15 1 0
8 12 1 0
8 15 1 0
9 25 1 0
9 28 1 0
10 12 2 0
10 13 1 0
10 16 1 0
11 14 1 0
12 17 1 0
14 20 2 0
14 21 1 0
16 18 2 0
17 19 2 0
18 19 1 0
20 23 1 0
21 24 2 0
22 23 2 0
22 24 1 0
22 25 1 0
26 29 1 0
27 30 1 0
28 31 1 0
M END
> <PUBCHEM_COMPOUND_CID> (38)
4108660
$$$$
3485668
22 23 0 0 0 0 0 0 0 0999 V2000
4.6783 -1.0648 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 -1.9921 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.2781 2.6519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6353 0.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 -1.9921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7619 -1.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 0.5447 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 -0.2601 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 1.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -0.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9674 1.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2566 2.8581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2619 -1.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7619 -2.8581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0
1 12 1 0
2 19 1 0
2 21 1 0
3 17 1 0
3 20 1 0
4 17 2 0
5 18 2 0
6 21 2 0
7 9 1 0
7 11 1 0
7 12 1 0
8 12 2 0
8 18 1 0
9 10 2 0
9 13 1 0
10 14 1 0
11 17 1 0
13 15 2 0
14 16 2 0
15 16 1 0
18 19 1 0
21 22 1 0
M END
> <PUBCHEM_COMPOUND_CID> (39)
3485668
$$$$
3448473
18 20 0 0 0 0 0 0 0 0999 V2000
4.9889 1.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 -2.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -0.2774 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.7226 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 0.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -1.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 -0.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.7226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 0.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 -1.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 0.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 -1.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 -0.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 7 2 0
2 8 2 0
3 7 1 0
3 8 1 0
3 9 1 0
4 10 1 0
5 6 2 0
5 7 1 0
5 10 1 0
6 8 1 0
6 11 1 0
9 14 2 0
9 15 1 0
10 12 2 0
11 13 2 0
12 13 1 0
14 16 1 0
15 17 2 0
16 18 2 0
17 18 1 0
M END
> <PUBCHEM_COMPOUND_CID> (40)
3448473
$$$$
3245962
29 32 0 0 0 0 0 0 0 0999 V2000
8.9282 -2.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
11.3241 -4.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
9.9282 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9282 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.7404 -3.1953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.7404 -4.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0
1 4 2 0
1 8 1 0
1 20 1 0
2 9 1 0
2 10 1 0
5 23 1 0
5 29 1 0
6 11 1 0
6 12 1 0
6 15 1 0
7 13 1 0
7 14 1 0
7 17 1 0
8 16 1 0
9 24 2 0
10 26 2 0
11 13 1 0
12 14 1 0
15 16 1 0
17 18 2 0
17 19 1 0
18 21 1 0
19 22 2 0
20 24 1 0
20 25 2 0
21 23 2 0
22 23 1 0
24 26 1 0
25 27 1 0
26 28 1 0
27 28 2 0
M END
> <PUBCHEM_COMPOUND_CID> (41)
3245962
$$$$
3245871
31 34 0 0 0 0 0 0 0 0999 V2000
2.0000 4.0105 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
6.3841 -0.5346 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.1161 -3.5346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9200 0.4654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5180 -4.0346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2501 -2.0346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1161 -0.5346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6520 -2.5346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7860 1.9654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5180 1.9654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3841 -2.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2501 -1.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5180 -2.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1161 -2.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9821 -2.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9821 -1.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3841 0.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5180 0.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8761 -2.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8761 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6520 2.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6520 0.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7821 -2.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7821 -1.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7860 0.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8760 2.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6681 3.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6520 -3.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8679 3.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7700 4.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7860 -4.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 29 1 0
2 12 1 0
2 17 1 0
3 14 2 0
4 25 2 0
5 28 2 0
6 11 1 0
6 12 1 0
6 14 1 0
7 12 2 0
7 16 1 0
8 13 1 0
8 28 1 0
9 21 1 0
9 25 1 0
9 26 1 0
10 18 1 0
10 21 2 0
11 13 1 0
14 15 1 0
15 16 2 0
15 19 1 0
16 20 1 0
17 18 1 0
18 22 2 0
19 23 2 0
20 24 2 0
21 27 1 0
22 25 1 0
23 24 1 0
26 29 2 0
27 30 2 0
28 31 1 0
29 30 1 0
M END
> <PUBCHEM_COMPOUND_CID> (42)
3245871
$$$$
3245616
26 29 0 0 0 0 0 0 0 0999 V2000
5.0132 0.1128 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.5575 -1.6919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5132 0.9788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5132 -0.7532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6411 -0.0212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6411 -1.7532 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1472 0.6128 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.6411 -1.7532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5071 -1.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5071 -2.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2219 1.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3209 0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4888 2.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3653 0.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 2.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1411 -0.8872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8792 -0.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1411 -0.8872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6113 -0.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5575 -0.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7452 0.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6113 -1.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8792 -1.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7452 -1.8872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8681 0.8680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0
1 4 2 0
1 7 1 0
1 18 1 0
2 19 1 0
2 23 1 0
5 17 2 0
6 8 1 0
6 17 1 0
7 11 1 0
7 12 1 0
8 9 1 0
8 10 1 0
9 10 1 0
11 13 1 0
12 14 1 0
13 15 1 0
14 16 1 0
15 16 1 0
17 19 1 0
18 22 2 0
18 24 1 0
19 21 2 0
20 21 1 0
20 22 1 0
20 23 2 0
21 26 1 0
23 25 1 0
24 25 2 0
M END
> <PUBCHEM_COMPOUND_CID> (43)
3245616
$$$$
3245490
24 27 0 0 0 0 0 0 0 0999 V2000
12.7884 -0.6965 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.2103 0.3353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8679 2.1642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2939 2.0061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 0.1400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.2939 0.2740 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 1.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5320 1.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 0.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5320 0.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 2.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2103 1.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7939 1.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6381 2.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6381 0.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7939 1.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2939 0.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7939 -0.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3872 -1.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1303 -2.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9964 -1.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 20 1 0
1 23 1 0
2 9 1 0
2 13 1 0
3 17 1 0
3 24 1 0
4 16 2 0
5 9 2 0
5 10 1 0
6 16 1 0
6 18 1 0
7 9 1 0
7 11 2 0
7 12 1 0
8 10 2 0
8 11 1 0
8 14 1 0
10 15 1 0
12 13 2 0
13 16 1 0
14 17 2 0
15 19 2 0
17 19 1 0
18 20 1 0
20 21 2 0
21 22 1 0
22 23 2 0
M END
> <PUBCHEM_COMPOUND_CID> (44)
3245490
$$$$
3245467
29 32 0 0 0 0 0 0 0 0999 V2000
3.8080 -1.9946 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
9.1643 1.4599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4617 -1.0346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.6284 0.4599 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.0303 -0.0401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6527 0.3666 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4836 -1.2425 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.6284 1.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4944 -0.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4944 1.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.3605 0.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.3605 1.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7624 -0.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8964 0.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2544 -0.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2544 1.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.1605 0.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.1605 1.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1643 0.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2983 -0.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4323 0.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5662 -0.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9836 -0.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9890 -0.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 -1.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 0.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4067 -0.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 0.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 25 1 0
2 19 2 0
3 7 1 0
3 22 1 0
4 8 1 0
4 9 1 0
4 13 1 0
5 14 1 0
5 19 1 0
6 22 2 0
6 23 1 0
7 23 2 0
8 10 1 0
9 11 1 0
10 12 1 0
11 12 2 0
11 15 1 0
12 16 1 0
13 14 1 0
15 17 2 0
16 18 2 0
17 18 1 0
19 20 1 0
20 21 1 0
21 22 1 0
23 24 1 0
24 25 2 0
24 26 1 0
25 27 1 0
26 28 2 0
27 29 2 0
28 29 1 0
M END
> <PUBCHEM_COMPOUND_CID> (45)
3245467
$$$$
3245099
21 23 0 0 0 0 0 0 0 0999 V2000
3.4781 -1.4345 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 2.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -1.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -1.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 1.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 -0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0747 -0.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0747 1.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9808 0.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9808 1.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4612 0.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -1.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0
1 21 1 0
2 11 2 0
3 12 1 0
4 12 2 0
5 6 1 0
5 11 1 0
5 14 1 0
6 7 1 0
6 9 1 0
7 8 1 0
7 12 1 0
8 10 2 0
8 15 1 0
9 13 2 0
10 11 1 0
10 16 1 0
13 17 1 0
13 20 1 0
15 18 2 0
16 19 2 0
17 21 2 0
18 19 1 0
M END
> <PUBCHEM_COMPOUND_CID> (46)
3245099
$$$$
3245008
35 39 0 0 0 0 0 0 0 0999 V2000
3.9176 2.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4144 2.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8000 -5.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6660 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8000 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3321 -0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5321 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5321 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9061 -0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4260 -0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3321 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9061 1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4260 1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5033 -1.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3321 -0.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8287 -1.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6660 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8000 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5321 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8000 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6660 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9340 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5321 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8000 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6660 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9340 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6660 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6660 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 17 2 0
2 18 2 0
3 32 1 0
3 33 1 0
4 8 1 0
4 9 1 0
4 19 1 0
5 25 1 0
5 28 1 0
5 29 1 0
6 13 1 0
6 15 1 0
6 20 1 0
6 21 1 0
7 14 1 0
7 16 1 0
7 22 1 0
7 23 1 0
8 11 2 0
8 13 1 0
9 12 2 0
9 14 1 0
10 11 1 0
10 12 1 0
10 24 1 0
11 17 1 0
12 18 1 0
15 17 1 0
16 18 1 0
19 25 1 0
24 26 2 0
24 27 1 0
26 30 1 0
27 31 2 0
28 32 1 0
29 33 1 0
30 34 2 0
31 34 1 0
34 35 1 0
M END
> <PUBCHEM_COMPOUND_CID> (47)
3245008
$$$$
3244766
23 25 0 0 0 0 0 0 0 0999 V2000
6.0000 -0.4446 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
10.9851 -0.3833 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.0000 0.5554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0000 -1.4446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0000 -0.4446 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.0388 0.9214 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.0878 -0.3876 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 -0.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5000 0.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5000 0.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5000 0.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5000 -1.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -1.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -0.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 0.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0878 1.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0388 -0.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9851 1.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 1.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -2.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5687 0.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2957 2.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0
1 4 2 0
1 5 1 0
1 8 1 0
2 17 1 0
2 22 1 0
5 9 1 0
6 16 1 0
6 17 1 0
6 18 1 0
7 11 1 0
7 17 2 0
8 10 2 0
8 12 1 0
9 11 1 0
10 15 1 0
10 19 1 0
11 16 2 0
12 13 2 0
13 14 1 0
13 20 1 0
14 15 2 0
14 21 1 0
18 22 2 0
18 23 1 0
M END
> <PUBCHEM_COMPOUND_CID> (48)
3244766
$$$$
3244639
20 21 0 0 0 0 0 0 0 0999 V2000
8.1282 2.7741 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3580 2.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3580 0.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 15 1 0
2 9 1 0
2 17 1 0
3 10 2 0
4 18 1 0
4 19 1 0
5 18 2 0
6 7 1 0
6 10 1 0
6 14 1 0
7 8 2 0
7 12 1 0
8 9 1 0
8 13 1 0
9 11 2 0
10 11 1 0
12 15 2 0
13 16 2 0
15 16 1 0
17 18 1 0
19 20 1 0
M END
> <PUBCHEM_COMPOUND_CID> (49)
3244639
$$$$
3243462
22 24 0 0 0 0 0 0 0 0999 V2000
2.0000 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.8744 0.3047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.8744 -1.3047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4580 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4580 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 14 1 0
1 15 1 0
2 13 2 0
3 8 1 0
3 9 1 0
3 13 1 0
4 6 1 0
4 16 1 0
4 18 1 0
5 17 2 0
5 18 1 0
6 21 2 0
7 18 2 0
7 21 1 0
8 14 1 0
9 15 1 0
10 11 1 0
10 12 1 0
11 13 1 0
12 16 2 0
12 17 1 0
16 19 1 0
17 20 1 0
21 22 1 0
M END
> <PUBCHEM_COMPOUND_CID> (50)
3243462
$$$$
3243432
29 31 0 0 0 0 0 0 0 0999 V2000
5.4641 0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
13.4346 -0.9599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.7224 1.5241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5942 0.0275 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.3263 0.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2382 0.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9102 -0.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4136 -1.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4583 0.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7263 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9561 0.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9561 -1.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 -1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 23 1 0
1 28 1 0
2 9 1 0
2 12 1 0
3 17 2 0
4 21 2 0
5 13 1 0
5 17 1 0
6 15 1 0
6 21 1 0
6 23 1 0
7 22 1 0
7 23 2 0
8 29 3 0
9 10 1 0
9 13 1 0
10 11 1 0
11 12 1 0
14 15 1 0
14 16 1 0
16 20 1 0
17 18 1 0
18 24 2 0
18 26 1 0
19 21 1 0
19 22 2 0
19 25 1 0
20 27 1 0
22 24 1 0
25 26 2 0
28 29 1 0
M END
> <PUBCHEM_COMPOUND_CID> (51)
3243432
$$$$
3242952
25 28 0 0 0 0 0 0 0 0999 V2000
4.5981 1.4537 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
11.5884 -1.5771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.5463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8603 -0.5704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.0463 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.4537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5463 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.8564 -1.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7282 -0.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 -0.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7205 -2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5923 -0.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0901 -0.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.9537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 0.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0901 1.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.9537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.9537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.9537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 20 2 0
2 11 1 0
2 12 1 0
3 18 2 0
4 8 1 0
4 9 1 0
4 10 1 0
5 18 1 0
5 19 1 0
5 20 1 0
6 15 1 0
6 20 1 0
7 21 2 0
7 24 1 0
8 11 1 0
9 12 1 0
10 14 2 0
10 16 1 0
13 14 1 0
13 15 2 0
13 18 1 0
15 17 1 0
16 17 2 0
19 21 1 0
21 22 1 0
22 23 2 0
23 25 1 0
24 25 2 0
M END
> <PUBCHEM_COMPOUND_CID> (52)
3242952
$$$$
3242892
30 33 0 0 0 0 0 0 0 0999 V2000
13.4602 -0.7583 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 0.7892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3962 -1.2350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1243 -2.2416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -2.2108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.7320 0.2483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.9961 -0.7450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.8679 0.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7282 -0.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0000 0.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8602 -1.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 0.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -0.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6000 0.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1282 -1.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 -0.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 1.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -1.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 0.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2641 -0.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6260 -1.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5321 -0.7316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6260 0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4641 0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6038 1.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5321 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.3320 0.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4718 2.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.3359 1.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 25 1 0
2 12 1 0
2 20 1 0
3 21 1 0
3 23 1 0
4 15 2 0
5 19 2 0
6 8 1 0
6 9 1 0
6 14 1 0
7 10 1 0
7 11 1 0
7 15 1 0
8 10 1 0
9 11 1 0
12 13 1 0
12 17 1 0
12 18 1 0
13 19 1 0
14 25 2 0
14 26 1 0
15 21 1 0
16 19 1 0
16 20 2 0
16 22 1 0
20 24 1 0
22 23 2 0
23 27 1 0
24 27 2 0
25 28 1 0
26 29 2 0
28 30 2 0
29 30 1 0
M END
> <PUBCHEM_COMPOUND_CID> (53)
3242892
$$$$
3242647
26 28 0 0 0 0 0 0 0 0999 V2000
8.0622 -0.8034 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.3034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.1966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.1966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -1.3034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -0.8034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.1901 -1.8034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.6065 -2.6081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.6065 -0.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9171 -0.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -2.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8956 0.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2493 0.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5385 1.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -1.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -2.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2063 1.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5600 1.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -2.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8491 2.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 15 1 0
1 20 1 0
2 24 1 0
2 25 1 0
3 21 2 0
4 24 2 0
5 6 1 0
5 9 1 0
5 11 1 0
6 15 2 0
7 8 1 0
7 9 2 0
8 11 2 0
9 10 1 0
10 12 2 0
10 13 1 0
11 16 1 0
12 17 1 0
13 18 2 0
14 17 2 0
14 18 1 0
14 22 1 0
15 19 1 0
16 19 2 0
20 21 1 0
21 23 1 0
23 24 1 0
25 26 1 0
M END
> <PUBCHEM_COMPOUND_CID> (54)
3242647
$$$$
3242327
20 21 0 0 0 0 0 0 0 0999 V2000
3.7321 -1.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0
1 8 1 0
2 5 1 0
3 4 1 0
4 9 2 0
5 6 1 0
5 15 1 0
7 9 1 0
7 10 2 0
7 11 1 0
8 13 2 0
8 14 1 0
9 12 1 0
10 13 1 0
11 14 2 0
12 16 2 0
12 17 1 0
16 18 1 0
17 19 2 0
18 20 2 0
19 20 1 0
M END
> <PUBCHEM_COMPOUND_CID> (55)
3242327
$$$$
3242150
28 30 0 0 0 0 0 0 0 0999 V2000
6.9851 -4.1646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -4.2259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4260 -1.0646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5208 1.9965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8591 3.4828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -2.4939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8154 3.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0878 -2.5509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1389 0.0944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0388 -2.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7788 -1.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5000 -3.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0388 -3.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0878 -4.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9851 -2.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4479 -0.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5687 -3.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -3.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8080 0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4990 1.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7862 0.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1681 2.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1463 2.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4553 1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2118 2.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5282 4.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7936 2.8590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0
1 17 1 0
2 18 1 0
2 25 1 0
3 16 2 0
4 20 1 0
4 26 1 0
5 22 1 0
5 27 1 0
6 18 2 0
7 23 1 0
7 28 1 0
8 10 1 0
8 11 1 0
8 12 1 0
9 16 1 0
9 19 1 0
10 13 2 0
10 15 1 0
11 16 1 0
12 14 2 0
12 18 1 0
13 14 1 0
15 17 2 0
19 20 2 0
19 21 1 0
20 22 1 0
21 24 2 0
22 23 2 0
23 24 1 0
M END
> <PUBCHEM_COMPOUND_CID> (56)
3242150
$$$$
3241971
26 30 0 0 0 0 0 0 0 0999 V2000
4.7821 -1.4241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3764 1.2324 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6962 1.7894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0772 0.0301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0627 1.5572 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8717 2.1449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6868 -0.1786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.3311 1.6558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0258 0.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6591 2.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0484 0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6818 2.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3991 1.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3717 0.6061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6808 1.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0567 -0.1786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3717 0.6061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0473 1.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7367 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6663 0.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3444 1.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7493 2.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3151 -1.9418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7180 -2.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7706 -2.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 19 1 0
1 26 1 0
2 11 1 0
2 12 1 0
2 13 1 0
3 13 2 0
3 15 1 0
4 13 1 0
4 16 2 0
5 6 1 0
5 17 1 0
5 18 1 0
6 15 2 0
7 17 1 0
7 20 2 0
8 9 1 0
8 10 1 0
9 11 1 0
10 12 1 0
14 15 1 0
14 16 1 0
14 17 2 0
16 19 1 0
18 21 2 0
18 22 1 0
19 23 2 0
20 21 1 0
20 24 1 0
23 25 1 0
25 26 2 0
M END
> <PUBCHEM_COMPOUND_CID> (57)
3241971
$$$$
3241281
28 30 0 0 0 0 0 0 0 0999 V2000
5.4641 2.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2241 2.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2241 5.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 16 1 0
1 17 1 0
2 14 1 0
2 19 1 0
3 14 2 0
4 15 2 0
5 22 2 0
6 12 1 0
6 13 1 0
6 14 1 0
7 9 1 0
7 15 1 0
8 20 1 0
8 22 1 0
8 26 1 0
9 10 1 0
9 11 1 0
10 12 1 0
11 13 1 0
15 16 1 0
17 18 1 0
17 21 2 0
18 20 2 0
18 23 1 0
19 25 1 0
20 24 1 0
21 22 1 0
23 27 2 0
24 28 2 0
27 28 1 0
M END
> <PUBCHEM_COMPOUND_CID> (58)
3241281
$$$$
3241066
23 25 0 0 0 0 0 0 0 0999 V2000
5.4641 1.4537 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
12.4545 -1.5771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.5463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.0463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.7263 -0.5704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.0463 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.4537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.5942 -0.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7224 -1.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 -0.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4583 -0.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5865 -2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9561 -0.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.9537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 0.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9561 1.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.9537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 21 2 0
2 11 1 0
2 12 1 0
3 18 2 0
4 22 1 0
4 23 1 0
5 8 1 0
5 9 1 0
5 10 1 0
6 17 1 0
6 18 1 0
6 21 1 0
7 15 1 0
7 21 1 0
8 11 1 0
9 12 1 0
10 14 1 0
10 16 2 0
13 14 2 0
13 15 1 0
13 18 1 0
15 19 2 0
16 19 1 0
17 20 1 0
20 22 1 0
M END
> <PUBCHEM_COMPOUND_CID> (59)
3241066
$$$$
3240350
19 20 0 0 0 0 0 0 0 0999 V2000
3.8660 1.7953 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.7047 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -3.7047 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -2.7047 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 2.6613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3660 0.9293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 1.2953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8366 3.2898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3147 2.6317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 0.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 2.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -1.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 -0.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -0.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 -1.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -1.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6456 1.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -2.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8147 3.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 5 2 0
1 6 2 0
1 7 1 0
1 11 1 0
2 18 1 0
3 18 1 0
4 18 1 0
7 10 1 0
8 11 1 0
8 19 1 0
9 17 1 0
9 19 2 0
10 13 2 0
10 14 1 0
11 17 2 0
12 15 2 0
12 16 1 0
12 18 1 0
13 15 1 0
14 16 2 0
M END
> <PUBCHEM_COMPOUND_CID> (60)
3240350
$$$$
3240228
31 34 0 0 0 0 0 0 0 0999 V2000
4.5288 1.4903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7345 -1.6462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6961 -2.4896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.1117 -1.6380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1421 -0.0186 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7024 0.5054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.5842 -0.7202 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.4713 -2.3343 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2024 -0.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0685 -0.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3364 -0.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0685 -1.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3364 -1.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2024 -0.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2024 -2.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7024 0.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6092 -1.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2079 -0.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9082 -0.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3158 0.9663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8479 -0.3193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6139 -0.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2555 1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5497 1.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5442 -1.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4291 2.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7234 2.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6631 2.9359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1141 -1.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 16 2 0
2 21 2 0
3 27 2 0
4 31 2 0
5 9 1 0
5 21 1 0
5 22 1 0
6 14 1 0
6 16 1 0
7 24 1 0
7 31 1 0
8 27 1 0
8 31 1 0
9 10 1 0
9 11 1 0
9 16 1 0
10 12 1 0
11 13 1 0
12 15 1 0
13 15 1 0
14 17 1 0
14 18 1 0
17 19 1 0
18 20 1 0
19 20 1 0
21 23 1 0
22 25 2 0
22 26 1 0
23 24 1 0
24 27 1 0
25 28 1 0
26 29 2 0
28 30 2 0
29 30 1 0
M END
> <PUBCHEM_COMPOUND_CID> (61)
3240228
$$$$
3240182
37 42 0 0 0 0 0 0 0 0999 V2000
7.7852 -0.3543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.8747 -2.9473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.7998 -4.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.3886 -0.2287 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.4315 0.1837 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.6452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.1452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1424 2.9499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.7207 -0.9730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0779 0.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7422 -0.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0994 0.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3671 -0.4349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4530 0.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6777 -1.3854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1424 1.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6562 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7260 2.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0099 -2.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9669 -2.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3205 -3.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2990 -3.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 4.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7716 -3.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 4.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 14 2 0
2 25 1 0
2 32 1 0
3 27 1 0
3 32 1 0
4 9 1 0
4 10 1 0
4 13 1 0
5 11 1 0
5 12 1 0
5 14 1 0
6 8 1 0
6 17 1 0
6 18 1 0
7 17 1 0
7 23 2 0
8 21 2 0
9 11 1 0
10 12 1 0
13 15 1 0
14 16 1 0
15 20 1 0
15 22 2 0
16 17 2 0
16 21 1 0
18 19 2 0
18 28 1 0
19 23 1 0
19 24 1 0
20 25 2 0
22 26 1 0
23 30 1 0
24 29 1 0
25 27 1 0
26 27 2 0
29 31 2 0
29 33 1 0
31 34 1 0
31 35 1 0
33 36 2 0
34 37 2 0
36 37 1 0
M END
> <PUBCHEM_COMPOUND_CID> (62)
3240182
$$$$
3239826
28 31 0 0 0 0 0 0 0 0999 V2000
8.8600 0.5372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.0372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.0372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2763 -0.2675 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2763 1.3419 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.4628 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.0372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5870 -1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8600 0.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9192 -1.9624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5655 -1.4243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.4628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2298 -2.9129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8762 -2.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2083 -3.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.4628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5620 -3.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.4628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.4628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 12 2 0
2 22 1 0
2 28 1 0
3 21 2 0
4 9 1 0
4 11 1 0
4 12 1 0
5 10 1 0
5 12 1 0
6 9 1 0
6 14 2 0
7 13 2 0
7 14 1 0
8 21 1 0
9 10 2 0
10 13 1 0
11 15 2 0
11 16 1 0
13 21 1 0
14 17 1 0
15 18 1 0
16 19 2 0
17 22 2 0
17 23 1 0
18 20 2 0
18 24 1 0
19 20 1 0
22 25 1 0
23 26 2 0
25 27 2 0
26 27 1 0
M END
> <PUBCHEM_COMPOUND_CID> (63)
3239826
$$$$
3239396
20 21 0 0 0 0 0 0 0 0999 V2000
5.5686 4.1433 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.6488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.3512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.8512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.6488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.3512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3776 2.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 3.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5468 4.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 17 1 0
1 20 1 0
2 12 2 0
3 13 2 0
4 10 1 0
4 11 1 0
4 13 1 0
5 12 1 0
5 14 1 0
6 13 1 0
6 15 1 0
6 16 1 0
7 8 1 0
7 9 1 0
7 12 1 0
8 10 1 0
9 11 1 0
14 17 1 0
17 18 2 0
18 19 1 0
19 20 2 0
M END
> <PUBCHEM_COMPOUND_CID> (64)
3239396
$$$$
3239326
27 30 0 0 0 0 0 0 0 0999 V2000
4.5981 1.0137 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
11.5884 -2.0171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.9863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8603 -1.0104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.4863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.0137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.8564 -2.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7282 -0.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 -0.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7205 -2.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5923 -1.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0901 -1.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0901 1.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 20 2 0
2 11 1 0
2 12 1 0
3 17 2 0
4 24 1 0
4 27 1 0
5 8 1 0
5 9 1 0
5 10 1 0
6 17 1 0
6 19 1 0
6 20 1 0
7 15 1 0
7 20 1 0
8 11 1 0
9 12 1 0
10 14 2 0
10 16 1 0
13 14 1 0
13 15 2 0
13 17 1 0
15 18 1 0
16 18 2 0
19 21 1 0
21 22 2 0
21 23 1 0
22 24 1 0
23 25 2 0
24 26 2 0
25 26 1 0
M END
> <PUBCHEM_COMPOUND_CID> (65)
3239326
$$$$
3239274
35 38 0 0 0 0 0 0 0 0999 V2000
8.0622 -3.3034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.8034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.6966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.8034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.8034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.3385 -0.4987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -0.3034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.9221 -1.3034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -1.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -2.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -1.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -2.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 -1.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 -0.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -0.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3385 -2.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -3.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6492 0.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -0.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6492 -3.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.6277 0.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9813 1.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9384 1.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2705 2.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2920 2.1467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.9169 1.8148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5812 3.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 14 2 0
2 21 1 0
2 32 1 0
3 21 2 0
4 9 1 0
4 10 1 0
4 14 1 0
5 11 1 0
5 12 1 0
5 21 1 0
6 8 1 0
6 19 1 0
6 24 1 0
7 19 2 0
7 20 1 0
8 22 2 0
9 11 1 0
10 12 1 0
13 14 1 0
13 15 1 0
15 16 1 0
16 17 1 0
16 20 2 0
17 18 2 0
17 23 1 0
18 19 1 0
18 22 1 0
20 25 1 0
22 26 1 0
24 27 2 0
24 28 1 0
27 29 1 0
28 31 2 0
29 30 2 0
29 33 1 0
30 31 1 0
30 34 1 0
32 35 1 0
M END
> <PUBCHEM_COMPOUND_CID> (66)
3239274
$$$$
3239152
29 32 0 0 0 0 0 0 0 0999 V2000
5.1491 0.2365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2625 0.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7570 1.6122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3785 -2.5798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7625 -0.2244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5567 -1.3911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.2570 -1.1949 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2625 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1285 -1.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3965 -1.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1285 -2.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3965 -2.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2625 -3.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3228 -0.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6170 -1.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3414 -0.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7880 -1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3420 -0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7625 -0.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2625 0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2625 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8557 -2.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7625 1.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5989 -2.6731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4649 -2.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3557 2.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0989 3.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9649 2.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 14 2 0
2 20 2 0
3 24 1 0
3 29 1 0
4 26 2 0
5 8 1 0
5 20 1 0
5 21 1 0
6 14 1 0
6 15 1 0
7 22 1 0
7 26 1 0
8 9 1 0
8 10 1 0
8 14 1 0
9 11 1 0
10 12 1 0
11 13 1 0
12 13 1 0
15 16 1 0
15 17 1 0
16 18 1 0
17 19 1 0
18 19 1 0
20 22 1 0
21 24 1 0
22 23 1 0
23 25 1 0
24 27 2 0
25 26 1 0
27 28 1 0
28 29 2 0
M END
> <PUBCHEM_COMPOUND_CID> (67)
3239152
$$$$
3238809
33 37 0 0 0 0 0 0 0 0999 V2000
10.3534 0.9209 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
6.6498 3.7019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4118 -0.3647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3890 -2.5242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9641 2.8254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5274 3.1029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0547 1.9786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7328 0.9880 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0528 -0.9190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0274 1.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3364 2.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0274 1.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7183 2.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7123 0.7793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3518 2.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3424 0.7793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7029 2.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5274 4.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3219 0.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3923 -0.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0321 2.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7040 1.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3374 3.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7328 -1.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6814 1.6614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3147 3.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9867 2.6137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3933 -2.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1741 -3.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0343 -4.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7851 -3.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2694 3.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 26 1 0
2 15 2 0
3 21 2 0
4 29 1 0
4 32 1 0
5 28 1 0
5 33 1 0
6 11 1 0
6 13 1 0
6 18 1 0
7 8 1 0
7 15 1 0
7 22 1 0
8 14 2 0
9 21 1 0
9 25 1 0
10 11 2 0
10 12 1 0
10 14 1 0
11 15 1 0
12 13 2 0
12 16 1 0
13 17 1 0
14 21 1 0
16 19 2 0
17 20 2 0
19 20 1 0
22 23 2 0
22 24 1 0
23 26 1 0
24 27 2 0
25 29 1 0
26 28 2 0
27 28 1 0
29 30 2 0
30 31 1 0
31 32 2 0
M END
> <PUBCHEM_COMPOUND_CID> (68)
3238809
$$$$
3238760
24 27 0 0 0 0 0 0 0 0999 V2000
4.7082 2.8929 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.2961 2.9693 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.2196 1.5572 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.9986 0.4785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -1.1646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9674 -0.0079 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3211 0.5302 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -1.9693 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -2.7741 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 -0.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2781 0.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6318 1.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6103 1.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2566 1.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9639 2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6649 2.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6593 1.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8655 0.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 21 1 0
2 21 1 0
3 21 1 0
4 17 1 0
4 24 1 0
5 8 1 0
5 10 1 0
5 11 1 0
6 11 2 0
6 13 1 0
7 11 1 0
7 14 2 0
8 9 2 0
9 12 1 0
10 12 2 0
10 16 1 0
12 18 1 0
13 15 2 0
13 17 1 0
14 15 1 0
14 21 1 0
16 19 2 0
17 22 2 0
18 20 2 0
19 20 1 0
22 23 1 0
23 24 2 0
M END
> <PUBCHEM_COMPOUND_CID> (69)
3238760
$$$$
3238659
23 25 0 0 0 0 0 0 0 0999 V2000
10.4851 0.9157 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -0.8776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -2.6097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 1.7204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5388 2.2204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.5878 0.9114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5000 0.8544 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0000 1.7204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5388 1.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5878 2.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4851 2.5252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0000 1.7204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0687 1.7204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7957 3.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 -0.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5000 0.8544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -0.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5000 -0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -1.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 -1.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -3.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0
1 13 1 0
2 19 1 0
2 22 1 0
3 20 1 0
3 23 1 0
4 16 2 0
5 9 1 0
5 10 1 0
5 11 1 0
6 8 1 0
6 9 2 0
7 12 1 0
7 16 1 0
8 10 2 0
8 12 1 0
11 13 2 0
11 14 1 0
15 16 1 0
15 17 2 0
15 18 1 0
17 19 1 0
18 21 2 0
19 20 2 0
20 21 1 0
M END
> <PUBCHEM_COMPOUND_CID> (70)
3238659
$$$$
3238591
23 25 0 0 0 0 0 0 0 0999 V2000
4.6783 -0.3331 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.7564 -0.4989 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.4716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6869 -1.2960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9824 -2.8783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 0.4716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 1.2763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3551 -1.3080 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 -0.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0983 -1.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9643 -1.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9938 -2.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8779 -1.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6004 -1.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4094 -1.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0
1 11 1 0
2 13 1 0
2 15 1 0
3 12 1 0
3 22 1 0
4 20 1 0
4 21 1 0
5 20 2 0
6 11 1 0
6 13 1 0
7 9 1 0
7 11 2 0
8 13 2 0
8 14 1 0
9 10 2 0
9 12 1 0
10 16 1 0
12 17 2 0
14 15 2 0
14 19 1 0
15 20 1 0
16 18 2 0
17 18 1 0
21 23 1 0
M END
> <PUBCHEM_COMPOUND_CID> (71)
3238591
$$$$
3238360
31 35 0 0 0 0 0 0 0 0999 V2000
6.2652 -1.4918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5225 -3.5163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3992 -2.9918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2773 2.5775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8022 -4.5363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6392 -2.0264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6179 -5.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -5.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3199 -6.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3200 -6.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7906 -3.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7332 -1.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7332 -0.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6392 0.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5332 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5332 -1.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6508 -3.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3992 0.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3992 -1.9918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2652 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3831 1.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1752 0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2812 1.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1832 1.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1414 3.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1376 4.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2696 4.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0016 4.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2658 5.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9978 5.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1298 6.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 19 1 0
1 20 1 0
2 17 2 0
3 19 2 0
4 23 1 0
4 25 1 0
5 7 1 0
5 8 1 0
5 11 1 0
6 12 1 0
6 16 1 0
6 17 1 0
7 9 1 0
8 10 1 0
9 10 1 0
11 17 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 2 0
15 18 1 0
16 19 1 0
18 20 2 0
18 21 1 0
20 22 1 0
21 23 2 0
22 24 2 0
23 24 1 0
25 26 1 0
26 27 2 0
26 28 1 0
27 29 1 0
28 30 2 0
29 31 2 0
30 31 1 0
M END
> <PUBCHEM_COMPOUND_CID> (72)
3238360
$$$$
3238302
31 34 0 0 0 0 0 0 0 0999 V2000
6.1808 -0.9879 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.4612 1.8970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 2.0121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.4391 -2.0121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 0.5121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 0.5121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 -0.9879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.3109 -0.5154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
15.7750 -0.5288 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4781 -0.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -0.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 1.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 0.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 0.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 1.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 1.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 0.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -0.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 -0.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6728 1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6728 -1.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5788 -0.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5788 0.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4429 -1.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1750 -1.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0429 -0.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0468 0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9070 -1.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9147 0.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7788 0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 19 2 0
2 15 2 0
3 17 2 0
4 25 2 0
5 10 1 0
5 12 1 0
5 15 1 0
6 16 1 0
6 17 1 0
6 19 1 0
7 19 1 0
7 20 1 0
8 25 1 0
8 26 1 0
9 29 2 0
9 31 1 0
10 11 1 0
11 13 1 0
12 14 1 0
13 15 1 0
14 16 1 0
17 18 1 0
18 20 2 0
18 21 1 0
20 22 1 0
21 24 2 0
22 23 2 0
23 24 1 0
23 25 1 0
26 27 1 0
27 28 2 0
27 29 1 0
28 30 1 0
30 31 2 0
M END
> <PUBCHEM_COMPOUND_CID> (73)
3238302
$$$$
3237875
17 19 0 0 0 0 0 0 0 0999 V2000
4.6783 -1.8638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3211 1.4404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9674 0.9024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -1.0591 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6353 0.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2781 1.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6138 0.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2566 2.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9245 1.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -0.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 0.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 4 1 0
1 15 1 0
2 17 2 0
3 5 1 0
3 6 1 0
3 17 1 0
4 16 2 0
5 7 1 0
6 8 1 0
7 9 1 0
8 9 1 0
10 11 1 0
10 15 2 0
10 16 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
16 17 1 0
M END
> <PUBCHEM_COMPOUND_CID> (74)
3237875
$$$$
3237710
14 15 0 0 0 0 0 0 0 0999 V2000
2.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4920 -0.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4920 1.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4805 -1.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2622 1.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 12 2 0
2 6 1 0
2 12 1 0
3 4 1 0
3 5 1 0
3 6 2 0
4 8 1 0
4 10 2 0
5 9 2 0
5 11 1 0
6 13 1 0
7 8 2 0
7 9 1 0
7 14 1 0
10 12 1 0
M END
> <PUBCHEM_COMPOUND_CID> (75)
3237710
$$$$
3237701
32 35 0 0 0 0 0 0 0 0999 V2000
4.4118 0.8678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6498 4.9344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6814 2.8940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7338 -3.0829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5274 4.3354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0528 0.3136 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0547 3.2112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0548 -4.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0743 -4.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3748 -3.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4138 -4.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7143 -2.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0733 -2.3321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7153 -5.3354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3933 -1.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7328 -0.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0274 2.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3364 3.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7123 2.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0274 2.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7183 3.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3923 1.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3518 3.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7328 2.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0321 3.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3424 2.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5274 5.3354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7029 3.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3219 2.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7040 2.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3534 2.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 22 2 0
2 23 2 0
3 31 1 0
3 32 1 0
4 11 1 0
4 12 1 0
4 13 1 0
5 18 1 0
5 21 1 0
5 27 1 0
6 16 1 0
6 22 1 0
7 23 1 0
7 24 1 0
7 25 1 0
8 9 1 0
8 10 1 0
8 14 1 0
9 11 1 0
10 12 1 0
13 15 1 0
15 16 1 0
17 18 2 0
17 19 1 0
17 20 1 0
18 23 1 0
19 22 1 0
19 24 2 0
20 21 2 0
20 26 1 0
21 28 1 0
25 31 1 0
26 29 2 0
28 30 2 0
29 30 1 0
M END
> <PUBCHEM_COMPOUND_CID> (76)
3237701
$$$$
3237620
34 38 0 0 0 0 0 0 0 0999 V2000
8.9282 1.0137 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.5137 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
15.9186 -2.0171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -1.9863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.4863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -0.4863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
14.1904 -1.0104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 1.0137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -0.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3263 -0.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -0.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1865 -2.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0583 -0.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 0.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 0.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4202 -1.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0506 -2.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.9224 -1.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3263 0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4202 1.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 24 2 0
2 25 1 0
3 28 1 0
3 29 1 0
4 20 2 0
5 10 1 0
5 11 1 0
5 14 1 0
6 12 1 0
6 13 1 0
6 17 1 0
7 16 1 0
7 20 1 0
7 24 1 0
8 19 1 0
8 21 1 0
8 22 1 0
9 23 1 0
9 24 1 0
10 12 1 0
11 13 1 0
14 15 1 0
15 16 1 0
17 25 2 0
17 26 1 0
18 20 1 0
18 23 2 0
18 27 1 0
19 27 2 0
19 30 1 0
21 28 1 0
22 29 1 0
23 31 1 0
25 32 1 0
26 33 2 0
30 31 2 0
32 34 2 0
33 34 1 0
M END
> <PUBCHEM_COMPOUND_CID> (77)
3237620
$$$$
3237531
22 25 0 0 0 0 0 0 0 0999 V2000
9.4649 2.5329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4783 -2.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1211 1.0014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7674 0.4633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -0.4982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -2.4982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.0566 1.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7986 0.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6655 1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4593 2.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0781 1.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7889 0.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4783 -0.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -0.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -1.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0619 -1.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -0.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -1.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -0.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -2.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0
1 10 1 0
2 15 1 0
2 16 1 0
3 12 2 0
4 11 1 0
4 12 1 0
5 14 2 0
5 17 1 0
6 15 2 0
6 18 1 0
7 8 1 0
7 11 1 0
8 9 1 0
9 10 1 0
12 13 1 0
13 14 1 0
13 16 2 0
14 15 1 0
17 18 2 0
17 19 1 0
18 20 1 0
19 21 2 0
20 22 2 0
21 22 1 0
M END
> <PUBCHEM_COMPOUND_CID> (78)
3237531
$$$$
3237455
20 22 0 0 0 0 0 0 0 0999 V2000
6.2614 0.2936 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.6736 1.1026 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
11.2465 -1.3771 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.2614 -0.7064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2614 1.2936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2614 0.2936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.3002 -0.0724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.3492 -1.3814 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7614 -0.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7614 -0.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2614 0.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3492 0.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7226 0.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3002 -1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6736 -0.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9135 1.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7226 -0.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2465 0.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8301 -0.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 4 2 0
1 5 2 0
1 6 1 0
1 11 1 0
2 11 1 0
2 13 1 0
3 14 1 0
3 20 1 0
6 9 1 0
7 12 1 0
7 14 1 0
7 18 1 0
8 10 1 0
8 14 2 0
9 10 1 0
10 12 2 0
11 15 2 0
13 16 1 0
13 17 2 0
15 17 1 0
16 19 1 0
18 20 2 0
M END
> <PUBCHEM_COMPOUND_CID> (79)
3237455
$$$$
3237342
31 34 0 0 0 0 0 0 0 0999 V2000
6.3301 -1.1012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 3.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5686 4.3933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.1012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.8988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.6012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -4.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3776 2.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -4.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 3.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -4.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5468 4.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -4.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 13 2 0
2 14 2 0
3 17 1 0
3 30 1 0
4 7 1 0
4 8 1 0
4 9 1 0
5 10 1 0
5 11 1 0
5 14 1 0
6 13 1 0
6 18 1 0
7 10 1 0
8 11 1 0
9 12 1 0
9 13 1 0
12 15 2 0
12 16 1 0
14 17 1 0
15 19 1 0
16 20 2 0
17 24 2 0
18 22 2 0
18 23 1 0
19 21 2 0
20 21 1 0
22 25 1 0
22 28 1 0
23 26 2 0
23 29 1 0
24 27 1 0
25 31 2 0
26 31 1 0
27 30 2 0
M END
> <PUBCHEM_COMPOUND_CID> (80)
3237342
$$$$
3237187
27 30 0 0 0 0 0 0 0 0999 V2000
4.6783 1.4526 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.3551 0.4777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 4.2573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2712 -1.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6802 -4.1695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 3.0620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 2.2573 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9643 0.3086 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7564 1.2867 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9938 -1.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 2.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0802 -1.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0983 -0.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8028 -1.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9757 -2.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 1.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7847 -3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6982 -2.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3577 -1.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4892 -4.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 11 1 0
1 14 1 0
2 16 1 0
2 21 1 0
3 13 1 0
3 25 1 0
4 15 1 0
4 26 1 0
5 22 1 0
5 27 1 0
6 10 1 0
6 14 2 0
7 14 1 0
7 21 1 0
8 9 1 0
8 16 2 0
9 21 2 0
10 11 2 0
10 13 1 0
11 17 1 0
12 15 2 0
12 16 1 0
12 18 1 0
13 19 2 0
15 20 1 0
17 23 2 0
18 24 2 0
19 23 1 0
20 22 2 0
22 24 1 0
M END
> <PUBCHEM_COMPOUND_CID> (81)
3237187
$$$$
3236674
24 27 0 0 0 0 0 0 0 0999 V2000
2.0000 0.6307 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.6637 -0.0080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 -1.1012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.4372 -0.6012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.8535 0.2035 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.8535 -1.4059 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3092 0.3988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9073 -0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9073 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1753 -0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0413 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0413 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1753 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4372 -0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9372 0.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9372 -1.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 -0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5772 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9372 0.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9372 -1.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4372 -0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4727 1.3933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4945 1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9945 0.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 24 1 0
2 18 1 0
2 24 1 0
3 17 2 0
4 5 1 0
4 6 1 0
4 14 1 0
5 8 2 0
6 9 2 0
7 10 1 0
7 17 1 0
8 9 1 0
8 11 1 0
9 12 1 0
10 11 2 0
10 13 1 0
12 13 2 0
14 15 2 0
14 16 1 0
15 19 1 0
16 20 2 0
17 18 1 0
18 22 2 0
19 21 2 0
20 21 1 0
22 23 1 0
23 24 2 0
M END
> <PUBCHEM_COMPOUND_CID> (82)
3236674
$$$$
3236277
34 37 0 0 0 0 0 0 0 0999 V2000
8.1424 1.4647 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.2694 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 4.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2260 1.4034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2260 3.1354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6750 -3.3184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.7694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.2306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1424 3.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7260 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4530 4.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7260 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2260 1.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0570 -3.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7260 0.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -4.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -4.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 15 1 0
1 17 1 0
2 16 1 0
2 23 1 0
3 14 2 0
4 22 1 0
4 29 1 0
5 22 2 0
6 30 1 0
6 34 1 0
7 27 2 0
8 13 1 0
8 14 1 0
8 16 1 0
9 15 1 0
9 16 2 0
10 27 1 0
10 28 1 0
11 12 1 0
11 14 1 0
11 15 2 0
12 17 2 0
12 19 1 0
13 18 1 0
17 22 1 0
18 20 2 0
18 21 1 0
20 24 1 0
21 25 2 0
23 27 1 0
24 26 2 0
25 26 1 0
28 30 1 0
29 32 1 0
30 31 2 0
31 33 1 0
33 34 2 0
M END
> <PUBCHEM_COMPOUND_CID> (83)
3236277
$$$$
3236142
27 30 0 0 0 0 0 0 0 0999 V2000
4.6261 1.5093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8221 -1.8041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8221 0.2652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.2306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0570 1.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6750 1.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7282 -1.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7282 -0.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 10 2 0
2 20 1 0
2 26 1 0
3 22 1 0
3 27 1 0
4 18 2 0
5 7 1 0
5 10 1 0
5 11 1 0
6 12 1 0
6 18 1 0
7 8 1 0
8 9 1 0
9 10 1 0
11 14 2 0
11 16 1 0
12 13 1 0
12 19 1 0
13 17 2 0
13 21 1 0
14 15 1 0
15 18 1 0
15 23 2 0
16 24 2 0
17 20 1 0
20 22 2 0
21 25 2 0
22 25 1 0
23 24 1 0
26 27 1 0
M END
> <PUBCHEM_COMPOUND_CID> (84)
3236142
$$$$
3236052
23 26 0 0 0 0 0 0 0 0999 V2000
7.3424 1.7940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4260 1.8553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4260 0.1232 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5301 1.9893 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.0883 -2.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9543 -1.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1574 -1.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1034 -0.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8627 -0.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4232 0.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9260 0.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9260 0.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3962 0.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3424 0.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3962 1.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6641 0.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5301 -0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6641 1.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7702 2.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7702 -0.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8641 1.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8641 0.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0
1 15 1 0
2 11 2 0
3 9 1 0
3 10 1 0
3 11 1 0
4 15 2 0
4 18 1 0
5 6 1 0
5 7 1 0
6 8 1 0
7 9 1 0
8 10 1 0
11 12 1 0
12 14 2 0
13 14 1 0
13 15 1 0
13 17 2 0
16 17 1 0
16 18 2 0
16 20 1 0
18 19 1 0
19 21 2 0
20 22 2 0
21 22 1 0
21 23 1 0
M END
> <PUBCHEM_COMPOUND_CID> (85)
3236052
$$$$
3235931
31 33 0 0 0 0 0 0 0 0999 V2000
3.0000 2.8660 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.9889 -1.8787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7619 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 2.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 -1.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 -3.6340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 3.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -1.1340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6783 -4.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 -4.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 -3.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6783 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2619 -3.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -2.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -4.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -3.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -4.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -1.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 4.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 4.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 5.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 5.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2619 -5.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 4 2 0
1 5 2 0
1 8 1 0
1 21 1 0
2 13 2 0
3 17 1 0
3 31 1 0
6 20 2 0
7 10 1 0
7 13 1 0
7 14 1 0
8 22 1 0
8 23 1 0
9 20 1 0
9 24 1 0
10 11 1 0
11 12 2 0
11 16 1 0
12 13 1 0
12 15 1 0
14 17 1 0
15 18 2 0
15 20 1 0
16 19 2 0
18 19 1 0
21 25 2 0
21 26 1 0
22 29 1 0
23 30 1 0
24 27 2 0
24 28 1 0
25 27 1 0
26 28 2 0
M END
> <PUBCHEM_COMPOUND_CID> (86)
3235931
$$$$
3235913
20 22 0 0 0 0 0 0 0 0999 V2000
5.5836 0.5201 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.3959 -2.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -1.1507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 0.5814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 -0.7846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3959 0.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5298 0.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 0.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5298 -0.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3959 -1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5836 -1.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 -0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3798 1.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1719 0.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1279 -1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2778 2.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1799 1.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -1.1507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0
1 12 1 0
2 10 2 0
3 18 1 0
3 19 1 0
4 18 2 0
5 8 1 0
5 10 1 0
5 15 1 0
6 7 1 0
6 8 2 0
6 13 1 0
7 9 2 0
8 14 1 0
9 10 1 0
9 11 1 0
11 12 2 0
12 18 1 0
13 16 2 0
14 17 2 0
16 17 1 0
19 20 1 0
M END
> <PUBCHEM_COMPOUND_CID> (87)
3235913
$$$$
3000015
17 19 0 0 0 0 0 0 0 0999 V2000
2.0000 1.7244 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
7.1279 0.7244 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.8303 -1.2244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5443 -0.0804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2916 0.4969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5443 1.5291 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.6279 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2212 -1.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9643 -1.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6224 -0.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1279 0.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 16 1 0
2 7 1 0
2 11 1 0
3 9 1 0
3 10 1 0
4 11 1 0
4 13 1 0
5 10 2 0
6 11 2 0
6 12 1 0
7 8 1 0
7 10 1 0
8 9 1 0
12 13 2 0
12 14 1 0
13 15 1 0
14 16 2 0
15 17 2 0
16 17 1 0
M END
> <PUBCHEM_COMPOUND_CID> (88)
3000015
$$$$
2999946
30 33 0 0 0 0 0 0 0 0999 V2000
4.5981 2.6754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5923 -0.3005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.3246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.6754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.8246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -3.3246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.7282 -1.8454 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.8106 -3.3592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.6754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.6754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.6754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -1.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.6754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8221 -0.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8221 -2.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.6754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7282 -0.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.6754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4602 -0.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 17 1 0
1 29 1 0
2 28 1 0
2 30 1 0
3 10 1 0
3 11 1 0
3 14 1 0
4 12 1 0
4 13 1 0
4 15 1 0
5 14 2 0
5 21 1 0
6 21 1 0
7 25 2 0
7 28 1 0
8 25 1 0
9 27 3 0
10 12 1 0
11 13 1 0
14 16 1 0
15 17 2 0
15 19 1 0
16 18 2 0
16 27 1 0
17 22 1 0
18 20 1 0
18 24 1 0
19 23 2 0
20 21 2 0
20 25 1 0
22 26 2 0
23 26 1 0
24 28 2 0
M END
> <PUBCHEM_COMPOUND_CID> (89)
2999946
$$$$
2999429
27 29 0 0 0 0 0 0 0 0999 V2000
6.3465 -0.1896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 2.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3580 2.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 1.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3580 0.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2641 2.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7608 3.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 13 2 0
2 23 1 0
2 26 1 0
3 24 1 0
3 27 1 0
4 25 1 0
5 10 1 0
5 17 1 0
6 22 3 0
7 8 1 0
7 9 1 0
7 14 1 0
7 15 1 0
8 10 1 0
9 13 1 0
10 11 2 0
11 12 1 0
11 13 1 0
12 16 1 0
12 18 1 0
16 17 2 0
16 22 1 0
17 19 1 0
18 20 2 0
18 21 1 0
20 24 1 0
21 23 2 0
23 25 1 0
24 25 2 0
M END
> <PUBCHEM_COMPOUND_CID> (90)
2999429
$$$$
2999096
29 32 0 0 0 0 0 0 0 0999 V2000
2.8660 -4.2967 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
4.6261 -0.0179 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
9.4429 3.5535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5282 -0.6360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5416 1.6694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.2967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 1.2422 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0570 0.2911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 1.2422 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.9429 2.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9210 2.8954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5361 1.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0255 3.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1120 4.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0416 0.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8725 2.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0634 1.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9589 2.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4483 -0.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0804 3.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3203 0.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3692 0.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6750 0.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 29 1 0
2 22 1 0
2 23 1 0
3 10 1 0
3 14 1 0
4 21 2 0
5 12 1 0
5 15 1 0
5 16 1 0
6 8 1 0
6 23 1 0
6 24 1 0
7 9 1 0
7 23 2 0
8 9 2 0
10 11 1 0
10 12 1 0
11 13 1 0
13 14 1 0
15 17 2 0
15 19 1 0
16 18 2 0
16 20 1 0
17 18 1 0
17 21 1 0
21 22 1 0
24 25 2 0
24 26 1 0
25 27 1 0
26 28 2 0
27 29 2 0
28 29 1 0
M END
> <PUBCHEM_COMPOUND_CID> (91)
2999096
$$$$
2998785
20 23 0 0 0 0 0 0 0 0999 V2000
2.8070 0.2562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6268 3.6040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5390 0.2562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7300 1.8440 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3480 1.8440 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6730 -1.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9819 -3.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8368 -2.6921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5092 -2.6921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9819 -2.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8368 -1.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5092 -1.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8876 -3.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6730 -2.9949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6730 -0.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5390 1.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0390 2.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0390 2.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7789 1.5349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 16 2 0
2 19 2 0
3 16 1 0
3 17 1 0
4 17 1 0
4 18 1 0
4 20 1 0
5 17 2 0
5 19 1 0
6 10 1 0
6 11 1 0
6 12 1 0
6 16 1 0
7 10 1 0
7 13 1 0
7 14 1 0
8 11 1 0
8 13 1 0
8 15 1 0
9 12 1 0
9 14 1 0
9 15 1 0
18 19 1 0
M END
> <PUBCHEM_COMPOUND_CID> (92)
2998785
$$$$
2998227
24 27 0 0 0 0 0 0 0 0999 V2000
2.4067 3.4307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 1.8126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8611 0.0526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1701 1.0036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.9890 2.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 1.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1701 1.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 3.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6701 -0.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4791 0.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6701 -1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9100 -0.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 -0.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5361 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8041 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1733 0.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6381 -1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5361 -3.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8041 -3.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1244 0.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5891 -1.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6701 -3.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3323 -0.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0
1 9 1 0
2 5 1 0
2 6 1 0
2 7 1 0
3 7 1 0
3 10 1 0
3 13 1 0
4 7 2 0
4 11 1 0
5 8 1 0
6 9 1 0
10 11 2 0
10 12 1 0
11 14 1 0
12 15 2 0
12 16 1 0
14 17 2 0
14 18 1 0
15 19 1 0
16 20 2 0
17 21 1 0
18 22 2 0
19 23 2 0
20 23 1 0
21 24 2 0
22 24 1 0
M END
> <PUBCHEM_COMPOUND_CID> (93)
2998227
$$$$
2998130
18 20 0 0 0 0 0 0 0 0999 V2000
2.8660 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0
1 7 1 0
1 10 1 0
2 8 1 0
2 9 1 0
2 11 1 0
3 10 2 0
3 15 1 0
4 11 2 0
4 17 1 0
5 13 2 0
5 18 1 0
6 8 1 0
7 9 1 0
10 12 1 0
11 13 1 0
12 14 2 0
14 16 1 0
15 16 2 0
17 18 2 0
M END
> <PUBCHEM_COMPOUND_CID> (94)
2998130
$$$$
2998037
28 31 0 0 0 0 0 0 0 0999 V2000
9.1481 -1.0694 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.6473 -0.9543 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.6110 -2.7679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3904 -0.2851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9041 -1.6234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2019 0.2353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9781 -0.2111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2509 0.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6631 -0.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2509 -1.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2019 -0.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1481 0.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9418 -2.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7317 -0.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4588 1.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9637 -2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2946 -1.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3164 -1.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6547 -3.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7909 2.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4373 1.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0074 -2.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6765 -3.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1016 3.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7480 2.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0801 3.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2872 0.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 11 1 0
1 14 1 0
2 4 2 0
2 5 2 0
2 7 1 0
2 18 1 0
3 13 2 0
6 8 1 0
6 11 1 0
6 12 1 0
7 27 1 0
7 28 1 0
8 9 1 0
9 10 1 0
10 11 2 0
10 13 1 0
12 14 2 0
12 15 1 0
13 16 1 0
15 20 2 0
15 21 1 0
16 17 2 0
16 19 1 0
17 18 1 0
18 22 2 0
19 23 2 0
20 24 1 0
21 25 2 0
22 23 1 0
24 26 2 0
25 26 1 0
M END
> <PUBCHEM_COMPOUND_CID> (95)
2998037
$$$$
2997458
20 23 0 0 0 0 0 0 0 0999 V2000
7.3424 -0.3852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3424 -1.9947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.2141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7702 -2.2246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6650 2.3346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7702 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6641 -0.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8641 -0.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6641 -1.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7817 0.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5301 -0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8641 -1.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5301 -2.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3962 -0.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3962 -1.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9215 1.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6535 1.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9260 -1.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9331 2.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8048 2.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 14 1 0
1 18 1 0
2 15 1 0
2 18 1 0
3 12 2 0
4 9 1 0
4 12 1 0
5 17 2 0
5 20 1 0
6 7 1 0
6 8 1 0
6 10 1 0
7 9 2 0
7 11 1 0
8 12 1 0
9 13 1 0
10 16 2 0
10 17 1 0
11 14 2 0
13 15 2 0
14 15 1 0
16 19 1 0
19 20 2 0
M END
> <PUBCHEM_COMPOUND_CID> (96)
2997458
$$$$
2967353
19 20 0 0 0 0 0 0 0 0999 V2000
5.8424 0.9936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 3.9762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.9581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -3.2852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 0.7148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 2.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2733 1.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5823 2.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8913 1.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -0.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9945 3.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9483 -0.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2163 -0.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9483 -1.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2163 -1.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -2.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8135 4.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2163 -3.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2163 -4.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 9 2 0
2 11 1 0
2 17 1 0
3 11 2 0
4 16 1 0
4 18 1 0
5 7 1 0
5 9 1 0
5 10 1 0
6 7 1 0
6 8 1 0
6 11 1 0
8 9 1 0
10 12 2 0
10 13 1 0
12 14 1 0
13 15 2 0
14 16 2 0
15 16 1 0
18 19 1 0
M END
> <PUBCHEM_COMPOUND_CID> (97)
2967353
$$$$
2946036
32 35 0 0 0 0 0 0 0 0999 V2000
6.3301 2.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 1.6340 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 3.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4725 2.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4725 3.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0561 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 20 1 0
1 21 1 0
2 26 1 0
3 26 1 0
4 26 1 0
5 18 2 0
6 31 1 0
6 32 1 0
7 11 1 0
7 13 1 0
7 16 1 0
8 14 1 0
8 17 1 0
8 18 1 0
9 21 2 0
9 22 1 0
10 21 1 0
10 23 2 0
11 12 1 0
11 14 1 0
12 15 1 0
13 15 1 0
16 17 1 0
18 19 1 0
19 20 1 0
22 24 2 0
22 25 1 0
23 24 1 0
23 26 1 0
25 27 2 0
25 28 1 0
27 29 1 0
28 30 2 0
29 31 2 0
30 31 1 0
M END
> <PUBCHEM_COMPOUND_CID> (98)
2946036
$$$$
2941457
27 31 0 0 0 0 0 0 0 0999 V2000
4.5274 0.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3991 -2.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.0934 3.0436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.1749 1.8517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6654 1.5471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0321 -0.1457 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0274 -0.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0274 -0.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3364 0.1790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7183 0.1790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0547 -0.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7123 -1.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3518 0.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7328 -1.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3424 -1.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7029 0.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3147 1.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3374 0.8065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5974 2.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3219 -1.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2694 1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6201 1.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9867 0.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9641 0.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0664 2.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0864 -3.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0
1 10 1 0
2 14 1 0
2 27 1 0
3 19 1 0
3 26 1 0
4 21 1 0
4 26 1 0
5 18 2 0
6 11 1 0
6 18 1 0
7 8 1 0
7 9 2 0
7 12 1 0
8 10 2 0
8 15 1 0
9 13 1 0
10 16 1 0
11 13 2 0
11 14 1 0
12 14 2 0
15 20 2 0
16 22 2 0
17 18 1 0
17 23 2 0
17 24 1 0
19 21 2 0
19 23 1 0
20 22 1 0
21 25 1 0
24 25 2 0
M END
> <PUBCHEM_COMPOUND_CID> (99)
2941457
$$$$
2940132
23 25 0 0 0 0 0 0 0 0999 V2000
2.0000 -3.4330 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.9330 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
5.9641 -1.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0981 -0.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0981 1.9330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2321 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2321 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2321 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0981 -1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9641 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2321 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9641 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2321 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0981 2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9641 3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2321 3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9641 4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2321 4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0981 4.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 15 1 0
2 15 1 0
3 11 2 0
4 11 1 0
4 13 1 0
4 14 1 0
5 16 1 0
5 17 1 0
5 18 1 0
6 7 1 0
6 8 1 0
6 9 1 0
6 10 1 0
7 8 1 0
7 11 1 0
8 12 1 0
12 15 2 0
13 16 1 0
14 17 1 0
18 19 2 0
18 20 1 0
19 21 1 0
20 22 2 0
21 23 2 0
22 23 1 0
M END
> <PUBCHEM_COMPOUND_CID> (100)
2940132
$$$$
2931090
17 16 0 0 0 0 0 0 0 0999 V2000
4.5981 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 11 2 0
2 13 2 0
3 5 1 0
3 11 1 0
4 6 1 0
4 13 1 0
5 6 1 0
5 12 1 0
7 8 1 0
7 14 1 0
7 15 1 0
8 11 1 0
9 10 1 0
9 16 1 0
9 17 1 0
10 13 1 0
M END
> <PUBCHEM_COMPOUND_CID> (101)
2931090
$$$$
2919698
32 35 0 0 0 0 0 0 0 0999 V2000
3.1756 2.6923 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.3973 -5.1555 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.2147 7.1555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.3104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9954 -3.6555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 5.3284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4543 0.9323 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7634 1.8833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0724 0.9323 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2634 -3.6555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3958 5.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8135 6.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8025 6.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2202 7.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9945 4.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 3.6059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7634 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2634 0.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2634 -0.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5033 0.6232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1294 -1.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3973 -1.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2634 -2.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1294 -2.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3973 -2.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1294 -4.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1294 -5.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2634 -5.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9954 -5.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2634 -6.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9954 -6.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1294 -7.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 16 1 0
1 17 1 0
2 28 1 0
3 13 1 0
3 14 1 0
4 15 2 0
5 26 2 0
6 11 1 0
6 12 1 0
6 15 1 0
7 17 1 0
7 18 1 0
7 20 1 0
8 9 1 0
8 17 2 0
9 18 2 0
10 23 1 0
10 26 1 0
11 13 1 0
12 14 1 0
15 16 1 0
18 19 1 0
19 21 2 0
19 22 1 0
21 24 1 0
22 25 2 0
23 24 2 0
23 25 1 0
26 27 1 0
27 28 2 0
27 29 1 0
28 30 1 0
29 31 2 0
30 32 2 0
31 32 1 0
M END
> <PUBCHEM_COMPOUND_CID> (102)
2919698
$$$$
2906489
18 20 0 0 0 0 0 0 0 0999 V2000
2.0000 0.7586 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 0.4798 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2601 2.0186 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2601 2.0186 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -0.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8940 -1.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8940 -2.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -2.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6261 -1.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6261 -2.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5691 1.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 1.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5201 0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2633 1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7281 -0.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2143 1.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6791 -0.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4223 0.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 12 2 0
2 5 1 0
2 11 1 0
2 12 1 0
3 4 1 0
3 12 1 0
4 11 2 0
5 6 1 0
5 9 1 0
6 7 1 0
7 8 1 0
8 10 1 0
9 10 2 0
11 13 1 0
13 14 2 0
13 15 1 0
14 16 1 0
15 17 2 0
16 18 2 0
17 18 1 0
M END
> <PUBCHEM_COMPOUND_CID> (103)
2906489
$$$$
2892639
18 19 0 0 0 0 0 0 0 0999 V2000
5.3147 1.0284 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.0125 -1.9800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5477 -0.3328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2215 2.8080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.1920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8366 1.6865 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6456 0.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8535 -0.6929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8046 -1.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8147 1.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9635 -2.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0
1 12 1 0
2 11 1 0
2 18 1 0
3 11 2 0
4 12 2 0
5 9 1 0
5 10 1 0
6 9 2 0
6 12 1 0
7 8 1 0
7 9 1 0
8 11 1 0
10 13 2 0
10 14 1 0
13 15 1 0
14 16 2 0
15 17 2 0
16 17 1 0
M END
> <PUBCHEM_COMPOUND_CID> (104)
2892639
$$$$
2878090
21 22 0 0 0 0 0 0 0 0999 V2000
3.7891 2.8184 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.2306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.2306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4071 2.8184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0981 3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0981 3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 18 1 0
1 20 1 0
2 11 1 0
2 17 1 0
3 10 2 0
4 11 2 0
5 10 1 0
5 18 1 0
6 18 2 0
6 21 1 0
7 8 1 0
7 10 1 0
7 11 1 0
8 9 1 0
9 12 2 0
9 13 1 0
12 14 1 0
13 15 2 0
14 16 2 0
15 16 1 0
17 19 1 0
20 21 2 0
M END
> <PUBCHEM_COMPOUND_CID> (105)
2878090
$$$$
2863506
27 30 0 0 0 0 0 0 0 0999 V2000
2.6691 0.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6612 -0.8446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 2.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 -2.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6728 2.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5788 1.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5788 0.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6728 0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4781 1.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 1.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 14 1 0
1 21 1 0
2 20 1 0
2 22 1 0
3 15 2 0
4 22 2 0
5 9 1 0
5 17 1 0
6 26 2 0
6 27 1 0
7 8 1 0
7 11 1 0
7 19 1 0
8 9 2 0
8 15 1 0
9 10 1 0
10 12 1 0
11 17 2 0
11 22 1 0
12 13 1 0
13 15 1 0
14 16 1 0
14 20 1 0
16 18 1 0
17 23 1 0
18 21 1 0
19 24 2 0
19 25 1 0
24 26 1 0
25 27 2 0
M END
> <PUBCHEM_COMPOUND_CID> (106)
2863506
$$$$
2771981
19 20 0 0 0 0 0 0 0 0999 V2000
3.7321 -1.8877 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.1123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2241 0.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9942 0.1364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.6123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.1123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2241 -1.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 -1.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2125 -2.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 -0.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 14 1 0
2 10 1 0
2 13 1 0
3 8 1 0
3 17 1 0
4 17 2 0
5 19 1 0
6 19 2 0
7 8 2 0
7 9 1 0
7 12 1 0
8 11 1 0
9 15 2 0
9 16 1 0
10 11 2 0
10 14 1 0
12 14 2 0
13 18 1 0
13 19 1 0
15 17 1 0
M END
> <PUBCHEM_COMPOUND_CID> (107)
2771981
$$$$
2622866
26 29 0 0 0 0 0 0 0 0999 V2000
4.9889 -0.7296 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.9030 0.0952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6103 1.1714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1921 1.2520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2566 0.6333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.9849 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -2.4849 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -3.2896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.8600 0.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0662 -0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8105 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2136 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5458 1.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5673 1.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8564 2.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8994 2.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1886 3.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2101 3.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2781 0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9674 -0.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -1.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 20 1 0
1 21 1 0
2 12 2 0
3 19 2 0
4 9 1 0
4 12 1 0
5 14 1 0
5 19 1 0
6 21 1 0
6 22 1 0
6 23 1 0
7 8 1 0
7 21 2 0
8 22 2 0
9 10 1 0
9 11 1 0
10 11 1 0
12 13 1 0
13 14 1 0
13 15 2 0
14 16 2 0
15 17 1 0
16 18 1 0
17 18 2 0
19 20 1 0
22 24 1 0
23 25 2 0
24 26 2 0
25 26 1 0
M END
> <PUBCHEM_COMPOUND_CID> (108)
2622866
$$$$
2560737
23 25 0 0 0 0 0 0 0 0999 V2000
8.9282 -0.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.2327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -0.2673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 1.7327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4202 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4202 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3263 0.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3263 1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 15 1 0
1 16 1 0
2 14 2 0
3 13 1 0
3 14 1 0
4 16 2 0
4 17 1 0
5 18 1 0
5 19 2 0
6 7 1 0
6 8 1 0
7 9 1 0
8 10 1 0
9 11 1 0
9 12 2 0
10 12 1 0
11 13 1 0
14 15 1 0
16 19 1 0
17 18 2 0
17 20 1 0
18 21 1 0
20 22 2 0
21 23 2 0
22 23 1 0
M END
> <PUBCHEM_COMPOUND_CID> (109)
2560737
$$$$
2545865
32 34 0 0 0 0 0 0 0 0999 V2000
3.4013 1.2011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4833 -1.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7512 -2.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9836 1.9056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3493 -0.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.1384 2.0684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.8134 -0.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9716 -1.4262 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.0813 -0.0194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.7807 -0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8852 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8025 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3025 -0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7512 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5238 0.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3080 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3958 1.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6172 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2153 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0813 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3493 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9945 2.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2153 -2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9474 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0813 -3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9474 -2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9474 0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9474 1.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7564 2.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4474 3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4474 3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 17 1 0
1 22 1 0
2 18 1 0
2 21 1 0
3 14 2 0
4 17 2 0
5 21 2 0
6 29 1 0
6 32 1 0
7 28 2 0
8 11 1 0
8 13 1 0
9 20 1 0
9 28 1 0
10 11 2 0
10 12 1 0
10 15 1 0
11 14 1 0
12 13 2 0
12 17 1 0
13 16 1 0
14 18 1 0
19 20 1 0
19 21 1 0
19 23 2 0
20 24 2 0
22 27 1 0
23 25 1 0
24 26 1 0
25 26 2 0
28 29 1 0
29 30 2 0
30 31 1 0
31 32 2 0
M END
> <PUBCHEM_COMPOUND_CID> (110)
2545865
$$$$
2525258
23 25 0 0 0 0 0 0 0 0999 V2000
5.2619 -3.0209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0479 0.0242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3959 -4.5209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7837 1.0176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9235 2.5209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5836 -1.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5298 -2.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5836 -3.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5298 -3.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3959 -1.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -2.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3959 -3.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3798 -0.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1719 -1.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7953 4.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1799 -0.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2778 0.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7915 3.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9312 4.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6633 4.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0517 1.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9197 1.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0
1 13 1 0
2 17 1 0
2 22 1 0
3 13 2 0
4 23 2 0
5 19 1 0
5 23 1 0
6 7 1 0
6 8 1 0
7 9 1 0
8 10 2 0
8 11 1 0
9 10 1 0
10 13 1 0
11 12 2 0
11 14 1 0
12 15 1 0
14 18 2 0
15 17 2 0
16 19 1 0
16 20 1 0
16 21 1 0
17 18 1 0
22 23 1 0
M END
> <PUBCHEM_COMPOUND_CID> (111)
2525258
$$$$
2416925
20 21 0 0 0 0 0 0 0 0999 V2000
3.9818 -3.9434 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7031 -2.1833 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.5201 1.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0280 -0.0955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2601 2.4434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 0.9045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2601 2.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2111 2.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2601 3.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5691 1.4923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 1.4923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4190 3.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3940 3.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -0.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8940 -0.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8940 -1.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0850 -2.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3940 -3.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3940 -3.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 20 1 0
2 17 1 0
2 20 1 0
3 11 2 0
4 12 2 0
5 16 2 0
6 8 1 0
6 12 1 0
7 11 1 0
7 12 1 0
7 15 1 0
8 9 1 0
8 10 1 0
8 11 1 0
9 13 1 0
10 14 1 0
15 16 1 0
16 17 1 0
17 18 2 0
18 19 1 0
19 20 2 0
M END
> <PUBCHEM_COMPOUND_CID> (112)
2416925
$$$$
2415229
18 21 0 0 0 0 0 0 0 0999 V2000
4.9889 1.9324 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -0.6276 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.8497 -0.6319 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.8007 0.6771 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8497 0.9861 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8522 -1.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7979 -1.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3829 -1.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8007 -0.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 0.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 0.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 0.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0
2 11 1 0
2 14 1 0
3 6 1 0
3 9 1 0
3 10 1 0
4 5 1 0
4 9 2 0
5 10 2 0
6 7 1 0
7 8 1 0
8 9 1 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
13 15 1 0
14 16 1 0
15 17 2 0
16 18 2 0
17 18 1 0
M END
> <PUBCHEM_COMPOUND_CID> (113)
2415229
$$$$
2392415
18 20 0 0 0 0 0 0 0 0999 V2000
6.2619 0.8130 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 1.6178 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
9.3007 -0.5530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3007 0.4470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 0.0083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 -0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 -0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3497 -0.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3497 0.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 0.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0406 -1.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0406 1.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0
1 12 1 0
2 10 1 0
2 12 1 0
3 4 1 0
3 8 1 0
4 9 2 0
5 11 1 0
5 12 2 0
6 7 1 0
6 8 2 0
6 9 1 0
8 13 1 0
9 14 1 0
10 11 2 0
10 15 1 0
11 16 1 0
15 17 2 0
16 18 2 0
17 18 1 0
M END
> <PUBCHEM_COMPOUND_CID> (114)
2392415
$$$$
2374693
15 16 0 0 0 0 0 0 0 0999 V2000
4.7026 1.6865 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.0875 2.8080 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.1920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5116 0.2853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 1.0284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6808 1.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 14 1 0
1 15 1 0
2 15 2 0
3 7 1 0
3 14 1 0
4 5 1 0
4 14 2 0
5 15 1 0
6 7 2 0
6 8 1 0
6 11 1 0
7 9 1 0
8 10 2 0
8 13 1 0
9 12 2 0
10 12 1 0
M END
> <PUBCHEM_COMPOUND_CID> (115)
2374693
$$$$
2371846
23 24 0 0 0 0 0 0 0 0999 V2000
7.0064 -1.9096 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.1680 1.1728 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 -2.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2294 -0.6224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5474 2.3987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1974 -0.3218 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9770 -0.2285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9651 3.1032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6974 -2.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3884 -1.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1974 -1.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6974 -2.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1096 -3.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2852 -3.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0634 0.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4373 -1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6461 0.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1461 1.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6406 0.4101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5529 2.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 -1.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9706 2.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 11 1 0
1 12 1 0
2 15 1 0
2 18 1 0
3 16 1 0
3 21 1 0
4 16 2 0
5 20 2 0
6 11 1 0
6 15 1 0
7 15 2 0
7 17 1 0
8 20 1 0
8 23 1 0
9 10 1 0
9 12 2 0
9 13 1 0
10 11 2 0
10 16 1 0
12 14 1 0
17 18 2 0
17 19 1 0
18 20 1 0
21 22 1 0
M END
> <PUBCHEM_COMPOUND_CID> (116)
2371846
$$$$
2358042
31 33 0 0 0 0 0 0 0 0999 V2000
10.5679 2.8184 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.2429 -2.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.5109 -3.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 -0.6762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 0.7306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.2429 0.7306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -1.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.5109 0.7306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -0.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.5109 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6449 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3769 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6449 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3769 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5109 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3769 1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3769 2.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4781 0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1859 2.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1090 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6449 -3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8769 3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8769 3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 23 1 0
1 31 1 0
2 17 1 0
2 19 1 0
3 15 1 0
3 27 1 0
4 16 1 0
4 28 1 0
5 21 1 0
5 29 1 0
6 17 2 0
7 20 2 0
8 22 2 0
9 11 1 0
9 20 1 0
10 18 1 0
10 22 1 0
11 12 1 0
11 13 2 0
12 14 2 0
12 17 1 0
13 15 1 0
14 16 1 0
15 16 2 0
18 21 1 0
19 22 1 0
20 23 1 0
21 24 2 0
23 25 2 0
24 26 1 0
25 30 1 0
26 29 2 0
30 31 2 0
M END
> <PUBCHEM_COMPOUND_CID> (117)
2358042
$$$$
2328662
21 23 0 0 0 0 0 0 0 0999 V2000
4.6783 -1.1824 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.8497 -1.1866 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
10.3323 0.8912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 1.3776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6278 -0.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -0.3776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8497 0.4314 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 -0.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8007 0.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6097 0.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8007 -0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5233 0.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2458 0.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0549 1.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0
1 9 1 0
2 11 1 0
2 16 1 0
3 19 1 0
3 20 1 0
4 10 2 0
5 19 2 0
6 10 1 0
6 11 1 0
7 11 2 0
7 12 1 0
8 9 2 0
8 10 1 0
8 14 1 0
9 15 1 0
12 13 1 0
12 16 2 0
13 19 1 0
14 17 2 0
15 18 2 0
17 18 1 0
20 21 1 0
M END
> <PUBCHEM_COMPOUND_CID> (118)
2328662
$$$$
2327953
26 29 0 0 0 0 0 0 0 0999 V2000
8.2619 0.0670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -2.4698 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
9.1279 -0.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3959 0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 0.0902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7619 0.9330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -1.6651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7619 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7619 2.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2619 1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7619 2.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 -0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 -1.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 -0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 -1.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 -2.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 -2.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2619 -1.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -0.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0
1 4 2 0
1 6 1 0
1 13 1 0
2 7 1 0
2 22 1 0
5 20 2 0
6 8 1 0
6 9 1 0
7 16 1 0
7 20 1 0
8 10 1 0
9 11 1 0
10 12 1 0
11 12 1 0
13 14 2 0
13 15 1 0
14 17 1 0
14 19 1 0
15 16 2 0
16 18 1 0
17 18 2 0
20 21 1 0
21 22 2 0
21 23 1 0
22 24 1 0
23 25 2 0
24 26 2 0
25 26 1 0
M END
> <PUBCHEM_COMPOUND_CID> (119)
2327953
$$$$
2327941
25 28 0 0 0 0 0 0 0 0999 V2000
9.2619 -0.3776 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -1.1824 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
9.2619 -1.3776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2619 0.6224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 1.3776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2619 -0.3776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -0.3776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.7619 -1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7619 0.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7619 -1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7619 0.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2619 -0.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 -0.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 0.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 -1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 -0.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 0.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 -1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0
1 4 2 0
1 6 1 0
1 13 1 0
2 7 1 0
2 21 1 0
5 19 2 0
6 8 1 0
6 9 1 0
7 16 1 0
7 19 1 0
8 10 1 0
9 11 1 0
10 12 1 0
11 12 1 0
13 14 2 0
13 15 1 0
14 17 1 0
15 18 2 0
16 17 2 0
16 18 1 0
19 20 1 0
20 21 2 0
20 22 1 0
21 23 1 0
22 24 2 0
23 25 2 0
24 25 1 0
M END
> <PUBCHEM_COMPOUND_CID> (120)
2327941
$$$$
2325816
24 27 0 0 0 0 0 0 0 0999 V2000
9.2619 -0.3776 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -1.1824 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
9.2619 -1.3776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2619 0.6224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 1.3776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2619 -0.3776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -0.3776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.8497 -1.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8497 0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8007 -0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8007 0.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 -0.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 0.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 -1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 -0.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 0.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 -1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0
1 4 2 0
1 6 1 0
1 12 1 0
2 7 1 0
2 20 1 0
5 19 2 0
6 8 1 0
6 9 1 0
7 15 1 0
7 19 1 0
8 10 1 0
9 11 1 0
10 11 1 0
12 13 2 0
12 14 1 0
13 16 1 0
14 17 2 0
15 16 2 0
15 17 1 0
18 19 1 0
18 20 2 0
18 21 1 0
20 22 1 0
21 23 2 0
22 24 2 0
23 24 1 0
M END
> <PUBCHEM_COMPOUND_CID> (121)
2325816
$$$$
2325815
31 35 0 0 0 0 0 0 0 0999 V2000
8.2619 1.2990 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -1.2377 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
9.7619 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3959 1.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1279 0.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 1.3222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7619 2.1651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 -2.1651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -0.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7619 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 -3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7619 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2619 3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7619 -3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 0.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 5 2 0
1 6 2 0
1 8 1 0
1 14 1 0
2 10 1 0
2 27 1 0
3 19 1 0
3 20 1 0
4 21 1 0
4 22 1 0
7 25 2 0
8 12 1 0
8 13 1 0
9 11 1 0
9 15 1 0
9 16 1 0
10 17 1 0
10 25 1 0
11 17 2 0
11 23 1 0
12 19 1 0
13 20 1 0
14 18 2 0
14 24 1 0
15 21 1 0
16 22 1 0
17 18 1 0
23 24 2 0
25 26 1 0
26 27 2 0
26 28 1 0
27 29 1 0
28 30 2 0
29 31 2 0
30 31 1 0
M END
> <PUBCHEM_COMPOUND_CID> (122)
2325815
$$$$
2320017
34 38 0 0 0 0 0 0 0 0999 V2000
4.2601 2.4245 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
10.7250 2.8053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -3.1143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7360 2.5962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2414 1.6257 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0723 3.2348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 0.8857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1588 2.8281 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9360 -0.7918 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.1427 3.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3237 1.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7414 2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1372 3.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3183 1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2633 1.8336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6482 0.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5201 1.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5691 1.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 1.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -0.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6427 0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0604 -0.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2601 2.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0494 -0.3059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4671 -1.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6261 -0.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8940 -0.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7281 0.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4616 -1.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6261 -1.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8940 -1.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -2.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8940 -3.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 18 1 0
1 23 1 0
2 13 1 0
2 14 1 0
3 33 1 0
3 34 1 0
4 10 1 0
4 11 1 0
4 12 1 0
5 12 1 0
5 15 1 0
5 16 1 0
6 8 1 0
6 12 2 0
7 18 1 0
7 19 1 0
7 20 1 0
8 15 2 0
9 29 3 0
10 13 1 0
11 14 1 0
15 17 1 0
16 21 2 0
16 22 1 0
17 18 2 0
17 29 1 0
19 23 2 0
19 24 1 0
20 27 2 0
20 28 1 0
21 25 1 0
22 26 2 0
25 30 2 0
26 30 1 0
27 31 1 0
28 32 2 0
31 33 2 0
32 33 1 0
M END
> <PUBCHEM_COMPOUND_CID> (123)
2320017
$$$$
2314340
21 23 0 0 0 0 0 0 0 0999 V2000
7.2641 -0.5346 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.2641 -0.5346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7641 -1.4007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8679 0.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -2.5346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -1.0346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 0.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5320 0.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 0.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5320 -0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6381 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6381 -1.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1741 0.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3820 2.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -2.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1821 2.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2800 2.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5320 -2.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 3 2 0
1 6 1 0
1 7 1 0
4 16 1 0
4 21 1 0
5 15 2 0
6 10 1 0
6 15 1 0
7 9 2 0
7 13 1 0
8 9 1 0
8 10 2 0
8 11 1 0
9 14 1 0
10 12 1 0
11 16 2 0
12 17 2 0
13 18 2 0
14 19 2 0
15 20 1 0
16 17 1 0
18 19 1 0
M END
> <PUBCHEM_COMPOUND_CID> (124)
2314340
$$$$
2311082
23 26 0 0 0 0 0 0 0 0999 V2000
4.6783 1.5291 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.3551 -2.0552 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 0.7244 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 1.7244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 -0.2756 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -0.0804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7564 -1.2462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1279 1.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 0.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1279 2.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9939 0.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9939 2.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8600 1.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8600 2.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0983 -2.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9643 -2.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0
1 10 1 0
2 14 1 0
2 22 1 0
3 4 2 0
3 5 1 0
3 8 1 0
3 9 1 0
5 14 1 0
6 9 2 0
6 11 1 0
7 14 2 0
7 23 1 0
8 12 2 0
8 13 1 0
10 11 2 0
10 15 1 0
11 16 1 0
12 17 1 0
13 18 2 0
15 20 2 0
16 21 2 0
17 19 2 0
18 19 1 0
20 21 1 0
22 23 2 0
M END
> <PUBCHEM_COMPOUND_CID> (125)
2311082
$$$$
2263393
28 30 0 0 0 0 0 0 0 0999 V2000
5.4641 -0.8875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.8875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
9.8744 -2.1922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.1636 0.5740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9641 -1.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9641 -0.0214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5172 1.1121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.7634 2.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.3875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8744 -0.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4580 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1851 0.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4580 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4743 1.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4528 1.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7419 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 5 2 0
1 6 2 0
1 9 1 0
1 19 1 0
2 27 1 0
3 11 1 0
3 15 1 0
4 18 1 0
4 23 1 0
7 18 2 0
8 26 1 0
8 28 1 0
9 13 1 0
10 11 2 0
10 12 1 0
10 14 1 0
11 16 1 0
12 15 2 0
12 18 1 0
13 14 2 0
13 17 1 0
15 20 1 0
16 17 2 0
19 21 2 0
19 22 1 0
21 24 1 0
22 25 2 0
23 26 1 0
24 27 2 0
25 27 1 0
M END
> <PUBCHEM_COMPOUND_CID> (126)
2263393
$$$$
2243399
19 21 0 0 0 0 0 0 0 0999 V2000
3.5827 1.8988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 0.3988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 1.8988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -1.1012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4781 2.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 1.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0747 -0.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0747 1.9334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9808 0.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9808 1.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0
1 8 1 0
1 9 1 0
2 9 2 0
2 10 1 0
3 9 1 0
3 11 2 0
4 10 1 0
4 17 1 0
5 6 1 0
5 7 1 0
6 8 1 0
10 12 2 0
11 12 1 0
11 14 1 0
12 13 1 0
13 15 2 0
14 16 2 0
15 16 1 0
17 18 1 0
18 19 2 0
M END
> <PUBCHEM_COMPOUND_CID> (127)
2243399
$$$$
2234677
19 20 0 0 0 0 0 0 0 0999 V2000
5.3500 2.8603 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
4.3794 -1.6343 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.8141 0.8603 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.9945 -2.7557 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.4839 1.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3500 -0.1397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0820 0.8603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9480 2.3603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5704 -0.2330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9013 -0.9762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2160 1.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3500 0.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2160 2.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4839 -0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9480 1.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0820 2.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 -1.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6801 1.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0
2 14 1 0
2 17 1 0
3 15 1 0
3 18 1 0
4 17 1 0
4 19 1 0
5 12 2 0
6 12 1 0
6 14 1 0
7 11 2 0
7 15 1 0
8 15 2 0
8 16 1 0
9 10 1 0
9 14 2 0
10 17 2 0
11 12 1 0
11 13 1 0
13 16 2 0
M END
> <PUBCHEM_COMPOUND_CID> (128)
2234677
$$$$
2233105
30 33 0 0 0 0 0 0 0 0999 V2000
12.0865 -0.9962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3191 1.7296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3191 -1.7809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5920 -0.0256 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.4744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0084 0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0084 -0.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5920 -0.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0920 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6853 -1.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4284 -2.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2944 -1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 18 1 0
1 24 1 0
2 11 2 0
3 12 2 0
4 19 2 0
5 29 1 0
5 30 1 0
6 29 2 0
7 11 1 0
7 12 1 0
7 13 1 0
8 19 1 0
8 21 1 0
9 10 2 0
9 11 1 0
9 14 1 0
10 12 1 0
10 16 1 0
13 18 1 0
14 15 2 0
15 17 1 0
15 19 1 0
16 17 2 0
18 20 2 0
20 22 1 0
21 23 2 0
21 25 1 0
22 24 2 0
23 26 1 0
23 29 1 0
25 27 2 0
26 28 2 0
27 28 1 0
M END
> <PUBCHEM_COMPOUND_CID> (129)
2233105
$$$$
2231443
28 33 0 0 0 0 0 0 0 0999 V2000
8.7794 -1.0421 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
12.3760 -0.0823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.3760 1.9871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3013 -0.3840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6346 -0.2360 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9704 0.3591 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2264 -1.5819 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3299 -1.1823 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1342 -1.9871 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3358 -1.1866 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5851 0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3294 -0.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7500 0.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8299 0.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8839 -0.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8013 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4820 0.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4820 1.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6160 -0.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0229 -0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7500 1.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2820 0.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2820 1.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6160 1.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7219 1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1080 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8070 1.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 15 1 0
1 16 1 0
2 17 1 0
2 22 1 0
3 18 1 0
3 23 1 0
4 6 1 0
4 12 1 0
4 16 1 0
5 8 1 0
5 11 1 0
5 14 1 0
6 15 2 0
7 9 1 0
7 12 2 0
8 10 2 0
9 16 2 0
10 20 1 0
11 12 1 0
13 15 1 0
13 19 2 0
13 21 1 0
14 20 2 0
14 25 1 0
17 18 2 0
17 19 1 0
18 24 1 0
20 26 1 0
21 24 2 0
22 23 1 0
25 27 2 0
26 28 2 0
27 28 1 0
M END
> <PUBCHEM_COMPOUND_CID> (130)
2231443
$$$$
2214811
30 34 0 0 0 0 0 0 0 0999 V2000
9.7167 0.7266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 -0.3391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4781 2.2487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.5769 -0.7767 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.8449 -0.7700 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -0.7459 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 1.2541 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.2181 -2.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7215 -1.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2287 -2.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3597 -0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4983 -1.7736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4053 -0.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7128 -0.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9808 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0747 -0.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -0.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9808 0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0747 1.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -0.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -0.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 1.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4781 -1.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -1.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.5906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 2.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 14 2 0
2 23 1 0
2 29 1 0
3 24 1 0
3 30 1 0
4 12 1 0
4 13 1 0
4 14 1 0
5 14 1 0
5 15 1 0
6 17 2 0
6 21 1 0
7 19 2 0
7 22 1 0
8 9 1 0
8 10 1 0
9 11 1 0
10 12 1 0
11 13 1 0
15 16 2 0
15 18 1 0
16 17 1 0
17 19 1 0
18 20 2 0
19 20 1 0
21 22 2 0
21 23 1 0
22 24 1 0
23 25 2 0
24 26 2 0
25 27 1 0
26 28 1 0
27 29 2 0
28 30 2 0
M END
> <PUBCHEM_COMPOUND_CID> (131)
2214811
$$$$
2214213
29 33 0 0 0 0 0 0 0 0999 V2000
2.6691 -0.4274 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.4781 2.1604 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
12.3051 -1.8716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7167 0.6384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.5769 -0.8650 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.8449 -0.8583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -0.8341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 1.1659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.5730 -1.8650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4448 -0.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4371 -2.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3089 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7128 -0.3616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9808 -0.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -0.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 0.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0747 -0.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9808 0.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -0.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 0.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0747 1.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -0.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 1.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4781 -1.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 0.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -2.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 2.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 22 1 0
1 28 1 0
2 23 1 0
2 29 1 0
3 11 1 0
3 12 1 0
4 13 2 0
5 9 1 0
5 10 1 0
5 13 1 0
6 13 1 0
6 14 1 0
7 15 2 0
7 19 1 0
8 16 2 0
8 20 1 0
9 11 1 0
10 12 1 0
14 17 2 0
14 18 1 0
15 16 1 0
15 17 1 0
16 21 1 0
18 21 2 0
19 20 2 0
19 22 1 0
20 23 1 0
22 24 2 0
23 25 2 0
24 26 1 0
25 27 1 0
26 28 2 0
27 29 2 0
M END
> <PUBCHEM_COMPOUND_CID> (132)
2214213
$$$$
2164301
16 16 0 0 0 0 0 0 0 0999 V2000
5.1350 0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -3.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 0.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -3.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 8 2 0
2 16 2 0
3 8 1 0
3 10 1 0
4 16 1 0
5 6 1 0
5 7 1 0
6 8 1 0
7 9 1 0
10 11 2 0
10 12 1 0
11 14 1 0
12 15 2 0
13 14 2 0
13 15 1 0
13 16 1 0
M END
> <PUBCHEM_COMPOUND_CID> (133)
2164301
$$$$
2161248
24 26 0 0 0 0 0 0 0 0999 V2000
8.9561 0.0520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.4827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.7263 0.0414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.0173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.5173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9561 -2.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 -1.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9446 -3.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 -0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0
1 18 1 0
2 19 1 0
2 22 1 0
3 17 2 0
4 18 2 0
5 10 1 0
5 17 1 0
6 19 2 0
6 23 1 0
7 8 2 0
7 9 1 0
7 12 1 0
8 11 1 0
9 14 2 0
9 15 1 0
10 11 2 0
10 13 1 0
12 13 2 0
14 18 1 0
16 17 1 0
16 19 1 0
16 20 2 0
20 21 1 0
21 23 2 0
22 24 1 0
M END
> <PUBCHEM_COMPOUND_CID> (134)
2161248
$$$$
2159198
19 21 0 0 0 0 0 0 0 0999 V2000
4.6783 -0.9387 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.3497 -0.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 -1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 0.6708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 -0.1340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 1.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3497 -1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3007 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3007 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0
1 9 1 0
2 10 1 0
3 16 1 0
3 19 1 0
4 15 2 0
5 7 1 0
5 9 1 0
5 11 1 0
6 9 2 0
6 15 1 0
7 8 2 0
7 10 1 0
8 12 1 0
10 13 2 0
12 14 2 0
13 14 1 0
15 16 1 0
16 17 2 0
17 18 1 0
18 19 2 0
M END
> <PUBCHEM_COMPOUND_CID> (135)
2159198
$$$$
2155914
32 35 0 0 0 0 0 0 0 0999 V2000
9.1264 1.6018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6001 1.6259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7283 0.1293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3020 -3.1293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3664 -1.4329 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.9924 0.1018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.1264 -1.3982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5962 -1.4224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.6813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3780 -2.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2603 -0.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2603 0.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4603 -0.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4603 0.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5178 -2.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2497 -2.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3664 0.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1264 0.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9924 -0.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5962 0.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8863 0.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8863 -1.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7924 0.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7924 -0.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9564 -2.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9710 -2.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7360 2.1293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7399 3.1293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6253 -1.0826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3311 -2.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6398 -0.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3457 -2.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 18 2 0
2 20 1 0
2 27 1 0
3 20 2 0
4 25 2 0
5 10 1 0
5 11 1 0
5 13 1 0
6 18 1 0
6 19 1 0
6 21 1 0
7 11 1 0
7 19 2 0
8 13 2 0
8 25 1 0
9 31 2 0
9 32 1 0
10 15 1 0
10 16 1 0
11 12 2 0
12 17 1 0
12 18 1 0
13 14 1 0
14 17 2 0
14 20 1 0
19 22 1 0
21 23 2 0
22 24 2 0
23 24 1 0
25 26 1 0
26 29 2 0
26 30 1 0
27 28 1 0
29 31 1 0
30 32 2 0
M END
> <PUBCHEM_COMPOUND_CID> (136)
2155914
$$$$
2148495
20 21 0 0 0 0 0 0 0 0999 V2000
9.7942 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 8 2 0
2 10 2 0
3 13 2 0
4 7 1 0
4 8 1 0
4 11 1 0
5 8 1 0
5 10 1 0
5 14 1 0
6 7 1 0
6 13 1 0
7 9 2 0
9 10 1 0
12 13 1 0
12 15 2 0
12 17 1 0
15 16 1 0
16 18 2 0
16 20 1 0
17 19 2 0
18 19 1 0
M END
> <PUBCHEM_COMPOUND_CID> (137)
2148495
$$$$
2128618
26 28 0 0 0 0 0 0 0 0999 V2000
4.3566 -3.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9538 2.7247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2218 1.7247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5878 -1.3142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6859 2.7247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6859 4.7247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 -0.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 -1.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 0.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1756 -2.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2788 -0.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8479 -0.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7688 -3.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 1.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9538 1.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8198 3.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8198 4.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5519 3.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5519 4.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9499 -4.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9538 4.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4458 2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4458 4.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3519 3.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3519 4.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0
1 21 1 0
2 16 1 0
2 17 1 0
3 15 2 0
4 7 1 0
4 8 1 0
4 10 1 0
5 17 2 0
5 19 1 0
6 18 2 0
6 20 1 0
7 9 2 0
7 12 1 0
8 11 2 0
8 14 1 0
9 11 1 0
9 15 1 0
10 13 1 0
15 16 1 0
17 18 1 0
18 22 1 0
19 20 2 0
19 23 1 0
20 24 1 0
23 25 2 0
24 26 2 0
25 26 1 0
M END
> <PUBCHEM_COMPOUND_CID> (138)
2128618
$$$$
2124916
28 31 0 0 0 0 0 0 0 0999 V2000
2.3090 2.2087 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.4955 0.3816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3122 2.7996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3869 -1.2740 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0779 -0.3229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7688 -1.2740 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 1.3997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7770 4.4469 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5779 -1.8618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3379 -1.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5779 -2.8618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0779 -0.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0811 -0.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5458 -2.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4439 -3.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7118 -3.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4901 0.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3090 2.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6180 3.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0321 -1.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4969 -2.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4439 -4.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7118 -4.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2400 -2.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5779 -4.8618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8090 3.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5691 3.4687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 18 1 0
1 27 1 0
2 17 2 0
3 28 2 0
4 5 1 0
4 9 1 0
4 10 1 0
5 12 2 0
6 9 2 0
6 12 1 0
7 17 1 0
7 18 1 0
8 28 1 0
9 11 1 0
10 13 2 0
10 14 1 0
11 15 2 0
11 16 1 0
12 17 1 0
13 20 1 0
14 21 2 0
15 22 1 0
16 23 2 0
18 19 2 0
19 26 1 0
19 28 1 0
20 24 2 0
21 24 1 0
22 25 2 0
23 25 1 0
26 27 2 0
M END
> <PUBCHEM_COMPOUND_CID> (139)
2124916
$$$$
2111176
28 29 0 0 0 0 0 0 0 0999 V2000
4.5981 -0.6250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -2.7590 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -4.4910 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.1250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.5981 -0.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 -0.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.3750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4128 3.5775 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4347 3.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 2.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2437 1.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6915 4.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8195 4.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9073 2.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 5 2 0
1 6 2 0
1 8 1 0
1 16 1 0
2 28 1 0
3 28 1 0
4 28 1 0
7 13 2 0
8 10 1 0
8 11 1 0
9 14 1 0
9 17 1 0
9 22 1 0
10 13 1 0
11 15 1 0
12 13 1 0
12 14 2 0
12 18 1 0
14 19 1 0
15 21 1 0
16 20 2 0
16 23 1 0
17 18 2 0
17 24 1 0
20 25 1 0
23 26 2 0
25 27 2 0
25 28 1 0
26 27 1 0
M END
> <PUBCHEM_COMPOUND_CID> (140)
2111176
$$$$
2105146
27 29 0 0 0 0 0 0 0 0999 V2000
5.4641 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0901 -0.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0901 2.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 15 1 0
1 23 1 0
2 22 1 0
2 27 1 0
3 15 2 0
4 24 2 0
5 9 2 0
5 10 1 0
6 24 1 0
6 25 1 0
6 26 1 0
7 8 2 0
7 9 1 0
7 13 1 0
8 11 1 0
8 15 1 0
9 14 1 0
10 11 2 0
10 12 1 0
12 16 2 0
12 17 1 0
13 18 2 0
14 19 2 0
16 20 1 0
17 21 2 0
18 19 1 0
20 22 2 0
21 22 1 0
23 24 1 0
M END
> <PUBCHEM_COMPOUND_CID> (141)
2105146
$$$$
2104690
30 34 0 0 0 0 0 0 0 0999 V2000
4.4639 -2.3063 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.9155 0.4222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9755 -3.3996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1095 -1.8996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2435 0.6004 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9755 -0.3996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2729 -0.9051 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1095 -0.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2435 -2.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2435 -0.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9755 -2.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8415 -1.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8415 -0.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3774 -1.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7355 -2.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2948 -0.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7355 -0.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8880 0.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1095 1.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3774 1.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7226 1.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3858 1.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7948 -1.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8090 1.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6416 -1.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6416 -0.8788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8271 2.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.9984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0181 3.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1045 2.9929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 14 1 0
1 23 1 0
2 18 1 0
2 24 1 0
3 11 2 0
4 8 1 0
4 9 1 0
4 11 1 0
5 10 1 0
5 19 1 0
5 20 1 0
6 8 2 0
6 13 1 0
7 14 2 0
7 16 1 0
8 10 1 0
9 14 1 0
11 12 1 0
12 13 2 0
12 15 1 0
13 17 1 0
15 25 2 0
16 18 1 0
16 23 2 0
17 26 2 0
18 22 2 0
21 22 1 0
21 24 2 0
21 27 1 0
24 28 1 0
25 26 1 0
27 29 2 0
28 30 2 0
29 30 1 0
M END
> <PUBCHEM_COMPOUND_CID> (142)
2104690
$$$$
2101786
24 26 0 0 0 0 0 0 0 0999 V2000
7.2763 -0.5057 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
9.3600 1.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3600 -0.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.7990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.7010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.7010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2763 1.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8600 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8600 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3600 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8600 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5870 2.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8600 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3600 -2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0
1 12 1 0
2 11 2 0
3 15 2 0
4 11 1 0
4 13 1 0
4 14 1 0
5 15 1 0
5 17 1 0
6 12 1 0
6 17 2 0
7 20 2 0
7 23 1 0
8 9 2 0
8 10 1 0
8 16 1 0
9 11 1 0
10 12 2 0
10 15 1 0
13 18 1 0
14 19 1 0
17 20 1 0
20 21 1 0
21 22 2 0
22 24 1 0
23 24 2 0
M END
> <PUBCHEM_COMPOUND_CID> (143)
2101786
$$$$
2084543
30 33 0 0 0 0 0 0 0 0999 V2000
7.6097 0.7441 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 1.9255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7076 0.1260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3698 0.4653 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.8698 2.0041 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.8698 2.0041 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1723 1.7733 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.2888 -0.5431 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.3698 -0.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5037 -1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1788 1.0531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2358 -1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5037 -2.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5608 1.0531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3698 -2.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2358 -2.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6377 -0.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1298 0.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3698 -3.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8666 1.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8730 1.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3378 -0.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2213 1.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9155 1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4781 2.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8240 1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0320 0.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 3.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 3.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 14 1 0
1 20 1 0
2 25 1 0
2 30 1 0
3 24 2 0
4 9 1 0
4 11 1 0
4 14 1 0
5 6 1 0
5 11 2 0
6 14 2 0
7 23 1 0
7 24 1 0
8 22 2 0
8 27 1 0
9 10 2 0
9 12 1 0
10 13 1 0
10 17 1 0
11 18 1 0
12 16 2 0
13 15 2 0
15 16 1 0
15 19 1 0
18 21 2 0
18 22 1 0
20 24 1 0
21 26 1 0
23 25 1 0
25 28 2 0
26 27 2 0
28 29 1 0
29 30 2 0
M END
> <PUBCHEM_COMPOUND_CID> (144)
2084543
$$$$
2082094
19 21 0 0 0 0 0 0 0 0999 V2000
4.4487 -0.9161 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 -1.0094 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.9487 -1.7821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9487 -0.0501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -0.4161 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0747 2.6185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 0.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 1.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 2.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -1.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 1.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0747 0.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 2.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 2.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4781 -2.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9808 1.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9808 2.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -2.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0
1 4 2 0
1 5 1 0
1 10 1 0
2 10 1 0
2 19 1 0
5 7 1 0
6 9 2 0
6 17 1 0
7 8 1 0
7 11 2 0
8 9 1 0
8 12 2 0
9 13 1 0
10 15 2 0
11 14 1 0
12 16 1 0
13 14 2 0
15 18 1 0
16 17 2 0
18 19 2 0
M END
> <PUBCHEM_COMPOUND_CID> (145)
2082094
$$$$
2055778
25 28 0 0 0 0 0 0 0 0999 V2000
5.2619 -2.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3959 -3.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0479 0.9251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8316 2.0115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.0886 3.4504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9009 1.7286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5836 -0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5298 -1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5836 -2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5298 -2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3959 -0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3959 -2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3798 0.4215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1719 -0.6132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1799 0.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2778 0.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0517 1.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9197 2.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0280 3.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5036 2.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0070 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4977 2.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0827 3.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0
1 14 1 0
2 14 2 0
3 17 1 0
3 19 1 0
4 20 1 0
4 22 1 0
5 24 1 0
5 25 1 0
6 24 2 0
7 8 1 0
7 9 1 0
8 10 1 0
9 11 2 0
9 12 1 0
10 11 1 0
11 14 1 0
12 13 2 0
12 15 1 0
13 16 1 0
15 18 2 0
16 17 2 0
17 18 1 0
19 20 1 0
20 21 2 0
21 23 1 0
22 23 2 0
22 24 1 0
M END
> <PUBCHEM_COMPOUND_CID> (146)
2055778
$$$$
1845454
15 16 0 0 0 0 0 0 0 0999 V2000
2.8090 0.8539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8870 -1.4417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9360 -1.1327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1960 -2.3927 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.5051 -1.4417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7770 0.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6180 1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5691 1.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0339 -0.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7281 -0.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3090 2.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3090 2.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1960 -2.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6960 -0.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0
1 13 1 0
2 3 1 0
2 14 1 0
2 15 1 0
3 10 2 0
4 5 1 0
4 14 2 0
5 15 2 0
6 8 2 0
6 9 1 0
6 10 1 0
7 8 1 0
7 11 2 0
11 12 1 0
12 13 2 0
M END
> <PUBCHEM_COMPOUND_CID> (147)
1845454
$$$$
1636867
22 24 0 0 0 0 0 0 0 0999 V2000
2.0000 -0.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.7327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.2673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.7673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.7673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.7327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0901 1.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0901 3.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 2.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 3.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 22 2 0
2 9 1 0
2 17 1 0
3 18 1 0
3 19 1 0
4 17 2 0
4 19 1 0
5 19 2 0
5 22 1 0
6 17 1 0
7 8 1 0
7 9 1 0
7 10 2 0
8 11 1 0
8 13 2 0
9 12 2 0
10 15 1 0
11 14 2 0
12 14 1 0
13 16 1 0
15 16 2 0
18 20 2 0
18 21 1 0
20 22 1 0
M END
> <PUBCHEM_COMPOUND_CID> (148)
1636867
$$$$
1540355
17 19 0 0 0 0 0 0 0 0999 V2000
4.6783 0.4271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -1.1824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.2619 -0.3776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -0.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 -0.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 1.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 0.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 -1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 0.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 -1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 -0.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 4 1 0
1 5 1 0
1 8 1 0
2 5 2 0
2 6 1 0
3 17 1 0
4 6 2 0
4 9 1 0
5 7 1 0
6 10 1 0
7 11 2 0
7 12 1 0
9 13 2 0
10 14 2 0
11 15 1 0
12 16 2 0
13 14 1 0
15 17 2 0
16 17 1 0
M END
> <PUBCHEM_COMPOUND_CID> (149)
1540355
$$$$
1505218
32 36 0 0 0 0 0 0 0 0999 V2000
10.0591 -0.2944 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
11.0369 -0.0847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1620 0.7004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0704 -0.1913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7917 -0.2193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0704 -0.1913 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5316 2.0408 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0704 1.5408 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5316 1.0408 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.4023 -1.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5084 -1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2683 -1.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5704 0.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4023 -2.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6023 -1.7454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1344 -1.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5084 -3.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2683 -3.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5704 0.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6023 -2.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1344 -2.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0704 1.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4826 2.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4826 0.7317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7226 0.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7917 3.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7226 2.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8271 -0.5416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8090 0.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0181 -1.1293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1045 -0.7226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 3 2 0
1 6 1 0
1 12 1 0
4 19 2 0
5 24 2 0
6 11 1 0
6 13 1 0
7 9 1 0
7 23 1 0
7 27 1 0
8 19 1 0
8 22 1 0
9 24 1 0
9 25 1 0
10 11 2 0
10 12 1 0
10 14 1 0
11 15 1 0
12 16 2 0
13 19 1 0
14 17 2 0
14 18 1 0
15 20 2 0
16 21 1 0
17 20 1 0
18 21 2 0
22 23 2 0
22 24 1 0
23 26 1 0
25 28 2 0
25 29 1 0
28 30 1 0
29 31 2 0
30 32 2 0
31 32 1 0
M END
> <PUBCHEM_COMPOUND_CID> (150)
1505218
$$$$
1379396
29 31 0 0 0 0 0 0 0 0999 V2000
7.1962 -0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 11 1 0
1 16 1 0
2 12 1 0
2 28 1 0
3 13 1 0
4 23 1 0
4 29 1 0
5 21 2 0
6 22 2 0
7 10 1 0
7 11 1 0
7 13 1 0
8 11 2 0
8 22 1 0
9 19 1 0
9 21 1 0
10 12 2 0
10 14 1 0
12 15 1 0
13 18 2 0
14 17 2 0
15 20 2 0
16 21 1 0
17 20 1 0
18 22 1 0
19 23 2 0
19 24 1 0
23 25 1 0
24 26 2 0
25 27 2 0
26 27 1 0
M END
> <PUBCHEM_COMPOUND_CID> (151)
1379396
$$$$
1352598
27 30 0 0 0 0 0 0 0 0999 V2000
6.9774 0.8422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.8031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2479 -1.8635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9587 -0.7068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2729 3.5584 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
5.9989 0.6360 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5836 2.6078 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
2.5836 0.9984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3959 0.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 1.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6051 -0.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5938 -0.2718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5298 1.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5298 2.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 2.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3959 2.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0938 -1.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9372 -0.9130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6452 0.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6238 0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5800 -2.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9344 1.2547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2916 -0.4401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9129 1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2701 -0.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8907 -3.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5808 0.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0
1 19 1 0
2 7 1 0
2 8 1 0
3 18 1 0
3 21 1 0
4 18 2 0
5 7 1 0
6 10 1 0
6 12 1 0
7 14 2 0
8 13 2 0
9 10 2 0
9 11 1 0
9 13 1 0
10 15 1 0
11 12 2 0
11 18 1 0
12 17 1 0
13 14 1 0
14 16 1 0
15 16 2 0
19 20 1 0
20 22 2 0
20 23 1 0
21 26 1 0
22 24 1 0
23 25 2 0
24 27 2 0
25 27 1 0
M END
> <PUBCHEM_COMPOUND_CID> (152)
1352598
$$$$
1335580
27 30 0 0 0 0 0 0 0 0999 V2000
4.6714 -2.5014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7179 0.1439 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0071 2.9101 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3177 3.8606 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2710 5.1680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3205 5.4787 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7717 0.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3015 0.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7717 1.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7179 1.7534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0286 -0.8066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3607 -1.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9056 -0.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3015 0.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9056 1.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0286 2.7039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0396 0.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0396 1.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0035 -3.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0250 -3.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3142 -4.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6678 -4.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3572 -3.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6463 -4.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -5.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2693 4.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7313 4.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0
1 19 1 0
2 7 1 0
2 8 1 0
2 11 1 0
3 4 1 0
3 16 2 0
4 26 1 0
4 27 1 0
5 6 1 0
5 26 2 0
6 27 2 0
7 9 2 0
7 13 1 0
8 10 2 0
8 14 1 0
9 10 1 0
9 15 1 0
10 16 1 0
11 12 1 0
13 17 2 0
15 18 2 0
17 18 1 0
19 20 2 0
19 21 1 0
20 23 1 0
21 24 2 0
22 23 2 0
22 24 1 0
22 25 1 0
M END
> <PUBCHEM_COMPOUND_CID> (153)
1335580
$$$$
1257159
35 39 0 0 0 0 0 0 0 0999 V2000
3.3660 2.7126 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 0.9805 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.3465 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
9.8838 2.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8838 4.5965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7960 4.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.1535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.1535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2960 3.7874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.8465 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8073 2.8184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.3465 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.2960 3.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7960 4.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7960 2.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7960 4.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7960 2.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8348 3.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8348 4.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2960 3.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7960 2.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2011 2.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -4.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 27 1 0
2 27 1 0
3 27 1 0
4 13 1 0
4 18 1 0
5 13 1 0
5 19 1 0
6 20 2 0
7 31 1 0
7 34 1 0
8 33 1 0
8 35 1 0
9 16 1 0
9 17 1 0
9 20 1 0
10 11 1 0
10 23 1 0
10 24 1 0
11 21 2 0
12 23 1 0
12 25 2 0
13 14 1 0
13 15 1 0
14 16 1 0
15 17 1 0
18 19 1 0
20 21 1 0
21 22 1 0
22 23 2 0
24 26 2 0
24 27 1 0
25 26 1 0
25 28 1 0
28 29 2 0
28 30 1 0
29 31 1 0
30 32 2 0
31 33 2 0
32 33 1 0
M END
> <PUBCHEM_COMPOUND_CID> (154)
1257159
$$$$
1255139
22 24 0 0 0 0 0 0 0 0999 V2000
6.5878 -1.6750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.4851 -1.6708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
10.5687 -1.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.5687 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 -0.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5878 -0.0570 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.5388 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5388 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4851 -0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0687 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0687 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5000 1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5687 -1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0687 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0
1 10 1 0
2 9 1 0
2 12 1 0
3 16 1 0
3 20 1 0
4 17 1 0
4 22 1 0
5 16 2 0
6 10 1 0
6 13 1 0
7 8 1 0
7 10 2 0
8 9 2 0
8 11 1 0
11 12 2 0
12 16 1 0
13 14 2 0
13 15 1 0
14 18 1 0
15 19 2 0
17 18 2 0
17 19 1 0
20 21 1 0
M END
> <PUBCHEM_COMPOUND_CID> (155)
1255139
$$$$
1254594
28 31 0 0 0 0 0 0 0 0999 V2000
2.0000 -1.4137 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
12.5878 -0.4907 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.0000 -1.4137 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.0000 -1.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.5388 0.8183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.5878 1.1273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
15.0687 0.3183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
14.4851 -0.4864 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0000 0.3183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
14.4851 1.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0000 0.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0000 0.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7957 2.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5388 -0.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0000 0.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5000 -0.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5000 1.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5000 -0.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5000 1.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7742 2.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5000 -0.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5000 -0.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 -1.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5000 -2.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5000 -0.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -2.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -0.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -1.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 28 1 0
2 11 1 0
2 14 1 0
3 22 1 0
3 23 1 0
4 21 2 0
5 6 1 0
5 10 1 0
5 14 1 0
6 11 2 0
7 8 1 0
7 10 2 0
8 14 2 0
9 15 1 0
9 21 1 0
10 13 1 0
11 12 1 0
12 16 2 0
12 17 1 0
13 20 1 0
15 18 2 0
15 19 1 0
16 18 1 0
17 19 2 0
21 22 1 0
23 24 2 0
23 25 1 0
24 26 1 0
25 27 2 0
26 28 2 0
27 28 1 0
M END
> <PUBCHEM_COMPOUND_CID> (156)
1254594
$$$$
1247297
27 29 0 0 0 0 0 0 0 0999 V2000
4.6783 0.4827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7619 2.1535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.7619 0.4214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 2.1535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 -2.1767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 -1.3106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 0.4214 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 2.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 1.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 0.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 1.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 3.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 -0.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 1.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2619 1.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2619 -0.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7619 0.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 -1.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7619 2.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2619 -0.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 -3.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0
1 11 1 0
2 19 1 0
2 25 1 0
3 22 1 0
3 26 1 0
4 13 2 0
5 24 1 0
5 27 1 0
6 24 2 0
7 12 1 0
7 13 1 0
8 9 1 0
8 10 2 0
8 15 1 0
9 11 2 0
9 14 1 0
10 13 1 0
11 17 1 0
12 16 2 0
12 18 1 0
14 20 2 0
16 21 1 0
16 24 1 0
17 23 2 0
18 19 2 0
19 22 1 0
20 23 1 0
21 22 2 0
M END
> <PUBCHEM_COMPOUND_CID> (157)
1247297
$$$$
1244222
18 19 0 0 0 0 0 0 0 0999 V2000
4.7111 -0.4024 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.2601 -1.0747 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.6420 0.8274 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.4327 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
9.4744 -0.7146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0064 1.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4712 -0.1237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2111 1.1364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2111 1.1364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1654 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4744 -0.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2143 0.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9744 0.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5201 0.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8866 -1.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9021 0.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7834 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 -0.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 14 1 0
1 16 1 0
2 18 1 0
3 18 1 0
4 18 1 0
5 11 1 0
5 17 1 0
6 12 2 0
7 12 1 0
7 14 1 0
8 9 1 0
8 14 2 0
9 16 2 0
10 11 2 0
10 12 1 0
10 13 1 0
11 15 1 0
13 17 2 0
16 18 1 0
M END
> <PUBCHEM_COMPOUND_CID> (158)
1244222
$$$$
1201903
30 34 0 0 0 0 0 0 0 0999 V2000
5.7109 0.4903 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
11.6440 -0.8426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1160 -2.1496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7796 -3.7322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4479 2.1574 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7725 -1.0588 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6160 -1.2835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5227 -3.0631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1799 2.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9169 2.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5118 3.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5231 3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3139 2.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1799 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3139 0.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4479 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0460 0.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1047 -0.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1160 -0.4175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9120 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0460 -0.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6160 -1.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7780 0.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9120 -0.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7780 -0.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1160 -2.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 -2.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5101 -0.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9135 -3.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 16 1 0
1 19 1 0
2 25 1 0
2 28 1 0
3 22 2 0
4 8 1 0
4 29 1 0
5 13 1 0
5 16 2 0
6 18 1 0
7 22 1 0
7 26 1 0
8 26 2 0
9 10 1 0
9 13 2 0
9 14 1 0
10 11 1 0
11 12 1 0
12 13 1 0
14 15 2 0
14 17 1 0
15 16 1 0
15 18 1 0
17 20 2 0
17 21 1 0
18 19 2 0
19 22 1 0
20 23 1 0
21 24 2 0
23 25 2 0
24 25 1 0
26 27 1 0
27 29 2 0
29 30 1 0
M END
> <PUBCHEM_COMPOUND_CID> (159)
1201903
$$$$
1192524
26 28 0 0 0 0 0 0 0 0999 V2000
5.4641 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 18 1 0
1 19 1 0
2 17 2 0
3 20 1 0
3 25 1 0
4 9 1 0
4 10 1 0
4 11 1 0
5 16 1 0
5 17 1 0
6 7 1 0
6 8 1 0
7 9 1 0
8 10 1 0
11 12 2 0
11 13 1 0
12 14 1 0
13 15 2 0
14 16 2 0
15 16 1 0
17 18 1 0
19 20 2 0
19 21 1 0
20 22 1 0
21 23 2 0
22 24 2 0
23 24 1 0
25 26 1 0
M END
> <PUBCHEM_COMPOUND_CID> (160)
1192524
$$$$
1190415
32 35 0 0 0 0 0 0 0 0999 V2000
3.8041 -3.2852 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.8041 -3.2852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8041 -3.2852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9380 1.2148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9100 2.4936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8041 -2.2852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6701 1.2148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1701 3.7536 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1701 3.7536 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8041 -0.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6701 -0.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9380 -0.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6701 -1.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9380 -1.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8041 0.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8041 -4.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6701 2.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4791 2.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8611 2.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6701 -4.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9380 -4.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 2.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 4.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7579 4.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6701 -5.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9380 -5.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8041 -6.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 4.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9890 5.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 5.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 6.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4067 6.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 3 2 0
1 6 1 0
1 16 1 0
4 15 2 0
5 19 2 0
6 13 1 0
6 14 1 0
7 15 1 0
7 17 1 0
8 9 1 0
8 18 1 0
8 24 1 0
9 19 1 0
9 23 1 0
10 11 1 0
10 12 1 0
10 15 1 0
11 13 1 0
12 14 1 0
16 20 2 0
16 21 1 0
17 18 2 0
17 19 1 0
18 22 1 0
20 25 1 0
21 26 2 0
23 28 2 0
23 29 1 0
25 27 2 0
26 27 1 0
28 30 1 0
29 31 2 0
30 32 2 0
31 32 1 0
M END
> <PUBCHEM_COMPOUND_CID> (161)
1190415
$$$$
1124527
27 30 0 0 0 0 0 0 0 0999 V2000
6.3301 2.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.3301 1.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.3301 1.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
10.2260 0.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2260 -1.1160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1424 0.5547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.5624 -2.6987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4284 -2.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8192 -2.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2205 -1.2206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7260 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7260 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1424 -1.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 21 1 0
2 21 1 0
3 21 1 0
4 27 1 0
5 14 2 0
6 12 1 0
6 13 1 0
6 14 1 0
7 8 1 0
7 16 1 0
7 18 1 0
8 15 2 0
9 16 1 0
9 19 2 0
10 11 1 0
10 12 1 0
11 13 1 0
14 15 1 0
15 17 1 0
16 17 2 0
18 20 2 0
18 21 1 0
19 20 1 0
19 22 1 0
22 23 2 0
22 24 1 0
23 25 1 0
24 26 2 0
25 27 2 0
26 27 1 0
M END
> <PUBCHEM_COMPOUND_CID> (162)
1124527
$$$$
1113907
29 32 0 0 0 0 0 0 0 0999 V2000
7.3301 2.5155 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.3301 2.5155 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.5155 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
11.4627 -1.9323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7852 -1.9840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.0155 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.4845 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1424 1.3203 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.4315 -1.4459 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1424 -0.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7260 0.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4530 -1.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7422 -2.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7207 -2.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1290 -3.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1234 -3.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3296 -2.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 18 1 0
2 18 1 0
3 18 1 0
4 25 1 0
4 29 1 0
5 17 2 0
6 8 1 0
6 10 1 0
6 11 1 0
7 10 1 0
7 13 2 0
8 16 2 0
9 17 1 0
9 21 1 0
10 12 2 0
11 14 2 0
11 18 1 0
12 16 1 0
12 17 1 0
13 14 1 0
13 15 1 0
15 19 2 0
15 20 1 0
19 23 1 0
20 24 2 0
21 25 1 0
22 23 2 0
22 24 1 0
22 26 1 0
25 27 2 0
27 28 1 0
28 29 2 0
M END
> <PUBCHEM_COMPOUND_CID> (163)
1113907
$$$$
1106125
22 23 0 0 0 0 0 0 0 0999 V2000
4.8198 1.8551 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5941 4.4912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9954 3.4731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5411 0.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9230 0.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2321 1.0461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4921 -0.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2321 1.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2353 0.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1863 0.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0274 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4131 2.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -4.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0009 3.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0
1 16 1 0
2 11 1 0
2 14 1 0
3 22 1 0
4 22 2 0
5 8 1 0
5 9 1 0
5 10 1 0
6 7 1 0
6 9 2 0
7 10 2 0
8 12 1 0
9 11 1 0
12 13 1 0
12 15 2 0
14 17 2 0
14 18 1 0
16 22 1 0
17 19 1 0
18 20 2 0
19 21 2 0
20 21 1 0
M END
> <PUBCHEM_COMPOUND_CID> (164)
1106125
$$$$
1085710
19 22 0 0 0 0 0 0 0 0999 V2000
5.2740 3.5540 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.5836 0.7895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5868 -2.6030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -0.5152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5298 -0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5298 0.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3959 -1.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5836 -0.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3959 0.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 0.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3959 -2.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3798 2.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1719 0.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2049 -2.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2778 2.5541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1799 2.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8959 -3.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8959 -3.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 16 1 0
6 2 1 6
2 10 1 0
3 12 1 0
3 19 1 0
4 7 1 0
4 11 1 0
5 6 1 1
5 7 1 0
5 8 1 0
6 9 1 0
7 12 1 6
8 10 1 0
9 11 2 0
9 13 1 0
11 14 1 0
12 15 2 0
13 16 2 0
14 17 2 0
15 18 1 0
16 17 1 0
18 19 2 0
M END
> <PUBCHEM_COMPOUND_CID> (165)
1085710
$$$$
1085650
29 32 0 0 0 0 0 0 0 0999 V2000
8.7788 0.5839 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
12.2708 0.5492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.2708 2.6185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2788 1.4499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2788 -0.2821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4781 -2.4106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -1.4161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 0.0839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -1.4161 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6449 1.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3769 1.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3769 2.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5109 0.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 0.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6449 2.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5109 2.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1769 1.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1769 2.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 0.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 1.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -0.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 0.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -0.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 2.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 1.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -1.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 -1.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -2.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 4 2 0
1 5 2 0
1 8 1 0
1 10 1 0
2 11 1 0
2 17 1 0
3 12 1 0
3 18 1 0
6 26 1 0
6 29 1 0
7 21 2 0
8 14 1 0
9 21 1 0
9 23 1 0
10 13 2 0
10 15 1 0
11 12 2 0
11 13 1 0
12 16 1 0
14 19 1 0
14 20 2 0
15 16 2 0
17 18 1 0
19 21 1 0
19 22 2 0
20 24 1 0
22 25 1 0
23 26 1 0
24 25 2 0
26 27 2 0
27 28 1 0
28 29 2 0
M END
> <PUBCHEM_COMPOUND_CID> (166)
1085650
$$$$
983998
32 36 0 0 0 0 0 0 0 0999 V2000
8.9942 0.2431 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
12.3518 0.6642 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.2740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.2740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2583 -0.7502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 0.7531 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.7684 0.3312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.9690 1.7281 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.9416 1.9336 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4920 2.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 1.7948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4920 0.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2622 0.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 0.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 0.7398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2665 -0.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4391 1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8579 -1.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2451 -0.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4439 -2.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8631 -1.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0353 -3.1715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4544 -2.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0405 -3.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 20 1 0
1 21 1 0
2 23 1 0
2 25 1 0
3 18 1 0
3 26 1 0
4 19 1 0
4 27 1 0
5 17 2 0
6 11 1 0
6 12 1 0
6 17 1 0
7 21 1 0
7 22 1 0
7 23 1 0
8 9 1 0
8 21 2 0
9 23 2 0
10 11 1 0
10 13 1 0
12 14 1 0
13 14 2 0
13 15 1 0
14 16 1 0
15 18 2 0
16 19 2 0
17 20 1 0
18 19 1 0
22 24 1 0
22 25 2 0
24 28 2 0
24 29 1 0
28 30 1 0
29 31 2 0
30 32 2 0
31 32 1 0
M END
> <PUBCHEM_COMPOUND_CID> (167)
983998
$$$$
978050
19 20 0 0 0 0 0 0 0 0999 V2000
2.0000 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 12 2 0
2 13 2 0
3 6 1 0
3 13 1 0
4 13 1 0
4 14 1 0
5 17 2 0
5 19 1 0
6 8 1 0
6 9 2 0
7 8 2 0
7 10 1 0
7 12 1 0
9 11 1 0
10 11 2 0
12 16 1 0
14 15 2 0
14 17 1 0
15 18 1 0
18 19 2 0
M END
> <PUBCHEM_COMPOUND_CID> (168)
978050
$$$$
975698
23 25 0 0 0 0 0 0 0 0999 V2000
7.2622 -0.5261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9904 -1.5327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.4981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.4981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 -0.0361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.5981 0.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7340 1.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5942 -0.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8660 0.9639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7263 -0.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4660 1.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9942 -0.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 -0.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -0.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4920 -0.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 1.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.5019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4920 1.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.5019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0
1 14 1 0
2 12 2 0
3 17 1 0
3 23 1 0
4 23 2 0
5 9 1 0
5 10 1 0
5 12 1 0
6 7 1 0
6 8 1 0
6 11 1 0
7 9 1 0
8 10 1 0
12 13 1 0
14 16 2 0
14 18 1 0
15 16 1 0
15 17 2 0
15 19 1 0
17 20 1 0
18 20 2 0
19 21 2 0
19 22 1 0
21 23 1 0
M END
> <PUBCHEM_COMPOUND_CID> (169)
975698
$$$$
960831
23 26 0 0 0 0 0 0 0 0999 V2000
4.6783 1.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.3497 0.3090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2619 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2619 0.3660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -0.4387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.6340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7619 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7619 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3497 -1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3007 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3007 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0
1 14 1 0
2 18 1 0
2 23 1 0
3 17 2 0
4 9 1 0
4 17 1 0
5 8 2 0
5 15 1 0
6 15 1 0
6 20 2 0
7 8 1 0
7 10 2 0
7 11 1 0
9 12 2 0
9 13 1 0
10 12 1 0
11 13 2 0
14 15 2 0
14 16 1 0
16 19 2 0
17 18 1 0
18 21 2 0
19 20 1 0
21 22 1 0
22 23 2 0
M END
> <PUBCHEM_COMPOUND_CID> (170)
960831
$$$$
938834
20 21 0 0 0 0 0 0 0 0999 V2000
4.6551 2.4571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.1307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9641 3.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2731 2.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3763 4.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9641 3.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -4.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7831 5.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -5.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0
1 7 1 0
2 8 2 0
3 8 1 0
3 10 1 0
4 5 1 0
4 6 1 0
5 8 1 0
6 9 2 0
7 11 1 0
7 13 2 0
9 13 1 0
10 15 2 0
10 16 1 0
11 18 1 0
12 14 2 0
12 15 1 0
12 19 1 0
14 17 1 0
14 20 1 0
16 17 2 0
M END
> <PUBCHEM_COMPOUND_CID> (171)
938834
$$$$
896090
21 23 0 0 0 0 0 0 0 0999 V2000
6.6266 -1.6701 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.9867 1.6421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3395 1.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.2271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0388 -2.5932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0388 -0.8611 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.5239 -0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1075 -0.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5777 -0.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5239 -1.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5777 -1.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6266 -0.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0388 -0.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3176 0.8990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5388 -1.7271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5388 -1.7271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 -0.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 -2.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2601 0.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6777 2.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 11 1 0
1 13 1 0
2 14 1 0
2 21 1 0
3 14 2 0
4 17 1 0
4 20 1 0
5 15 2 0
6 13 1 0
6 15 1 0
7 8 1 0
7 9 1 0
8 10 1 0
9 11 2 0
9 12 1 0
10 11 1 0
12 13 2 0
12 14 1 0
15 16 1 0
16 17 2 0
16 18 1 0
17 19 1 0
18 20 2 0
M END
> <PUBCHEM_COMPOUND_CID> (172)
896090
$$$$
893978
21 23 0 0 0 0 0 0 0 0999 V2000
3.4781 -1.7709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 0.7236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.5911 1.0283 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.5911 -0.5811 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -0.7764 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -0.7764 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6449 0.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6449 -0.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1747 0.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 -0.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 1.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 -0.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 0.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9017 1.9788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1747 0.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -0.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -0.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -0.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 -0.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -1.9788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 18 1 0
1 21 1 0
2 17 2 0
3 7 1 0
3 9 1 0
3 14 1 0
4 8 1 0
4 9 2 0
5 12 1 0
5 17 1 0
6 16 1 0
6 17 1 0
7 8 2 0
7 11 1 0
8 10 1 0
9 15 1 0
10 12 2 0
11 13 2 0
12 13 1 0
16 18 1 0
18 19 2 0
19 20 1 0
20 21 2 0
M END
> <PUBCHEM_COMPOUND_CID> (173)
893978
$$$$
892414
21 22 0 0 0 0 0 0 0 0999 V2000
2.5369 3.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9030 2.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9030 0.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0
2 7 2 0
3 4 1 0
3 7 1 0
4 6 1 0
4 8 1 0
4 9 1 0
5 7 1 0
5 10 1 0
5 11 1 0
10 12 2 0
10 14 1 0
11 13 2 0
11 15 1 0
12 16 1 0
13 17 1 0
14 18 2 0
15 19 2 0
16 20 2 0
17 21 2 0
18 20 1 0
19 21 1 0
M END
> <PUBCHEM_COMPOUND_CID> (174)
892414
$$$$
879262
20 21 0 0 0 0 0 0 0 0999 V2000
2.8660 0.3807 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.8366 1.8752 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.8038 2.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.6193 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2215 2.9967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6456 0.4740 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 1.2171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -4.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6227 4.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2160 3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8147 2.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6172 4.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 11 1 0
1 18 1 0
2 18 1 0
2 19 1 0
3 17 2 0
4 8 1 0
4 14 1 0
4 15 1 0
5 17 1 0
5 19 1 0
6 7 1 0
6 18 2 0
7 19 2 0
8 9 2 0
8 10 1 0
9 12 1 0
10 13 2 0
11 12 2 0
11 13 1 0
16 17 1 0
16 20 1 0
M END
> <PUBCHEM_COMPOUND_CID> (175)
879262
$$$$
879257
18 19 0 0 0 0 0 0 0 0999 V2000
8.0901 -1.0520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8603 -1.0414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.4827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0901 1.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 0.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0785 2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 -0.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0
1 15 1 0
2 9 1 0
2 16 1 0
3 15 2 0
4 16 2 0
5 6 2 0
5 8 1 0
5 10 1 0
6 7 1 0
7 9 2 0
7 12 1 0
8 13 2 0
8 14 1 0
9 11 1 0
10 11 2 0
13 15 1 0
16 17 1 0
17 18 1 0
M END
> <PUBCHEM_COMPOUND_CID> (176)
879257
$$$$
877619
13 13 0 0 0 0 0 0 0 0999 V2000
3.0000 0.3450 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0
1 4 1 0
1 5 1 0
1 6 1 0
2 4 1 0
4 7 1 0
4 8 1 0
5 9 2 0
5 10 1 0
9 11 1 0
10 12 2 0
11 13 2 0
12 13 1 0
M END
> <PUBCHEM_COMPOUND_CID> (177)
877619
$$$$
873949
20 22 0 0 0 0 0 0 0 0999 V2000
2.0000 -0.1751 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
6.9620 -2.8249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9821 -1.0814 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4920 1.8596 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2321 -1.0411 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9819 -1.0930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4720 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4920 -0.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4719 -1.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9620 -2.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 0.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 1.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2622 1.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 17 1 0
2 10 1 0
2 11 1 0
3 6 1 0
3 7 1 0
3 8 1 0
4 12 2 0
4 16 1 0
5 14 1 0
6 10 1 0
7 11 1 0
8 9 2 0
8 13 1 0
9 12 1 0
9 14 1 0
12 15 1 0
13 16 2 0
14 17 2 0
15 18 2 0
15 19 1 0
16 20 1 0
17 18 1 0
M END
> <PUBCHEM_COMPOUND_CID> (178)
873949
$$$$
869514
19 21 0 0 0 0 0 0 0 0999 V2000
2.8660 2.1900 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3580 0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 0.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 1.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3580 2.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 13 2 0
2 10 1 0
2 13 1 0
3 16 2 0
3 19 1 0
4 17 3 0
5 6 1 0
5 8 1 0
6 7 1 0
7 9 1 0
8 10 2 0
8 11 1 0
9 10 1 0
11 12 2 0
11 14 1 0
12 13 1 0
12 17 1 0
14 15 2 0
14 16 1 0
15 18 1 0
18 19 2 0
M END
> <PUBCHEM_COMPOUND_CID> (179)
869514
$$$$
866921
23 25 0 0 0 0 0 0 0 0999 V2000
5.4641 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8221 -1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8221 0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7282 -0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7282 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 11 1 0
1 18 1 0
2 10 2 0
3 20 1 0
3 23 1 0
4 18 2 0
5 6 1 0
5 10 1 0
5 11 1 0
6 7 2 0
7 9 1 0
8 9 2 0
8 10 1 0
8 12 1 0
9 13 1 0
12 15 2 0
13 16 2 0
14 17 2 0
14 18 1 0
14 19 1 0
15 16 1 0
17 20 1 0
19 22 2 0
20 21 2 0
21 22 1 0
M END
> <PUBCHEM_COMPOUND_CID> (180)
866921
$$$$
854732
18 21 0 0 0 0 0 0 0 0999 V2000
2.8760 -0.2047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8612 2.7740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6681 -1.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4411 -1.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0264 -2.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9957 -2.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7700 -1.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6520 -0.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7860 0.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5180 0.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8679 -1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5180 1.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6520 1.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7860 1.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2550 1.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8499 2.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2336 1.7630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0
1 12 1 0
2 14 1 0
2 17 1 0
3 12 2 0
4 5 1 0
4 8 2 0
4 9 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 12 1 0
9 10 2 0
9 11 1 0
10 15 1 0
11 13 2 0
13 14 1 0
13 16 1 0
14 15 2 0
16 17 2 0
16 18 1 0
M END
> <PUBCHEM_COMPOUND_CID> (181)
854732
$$$$
848598
22 24 0 0 0 0 0 0 0 0999 V2000
3.7321 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5443 0.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5443 -0.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1279 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1279 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1279 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1279 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6279 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6279 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6279 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6279 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6279 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6279 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 13 2 0
2 14 2 0
3 8 1 0
3 14 1 0
3 21 1 0
4 7 1 0
4 10 1 0
5 13 1 0
5 14 1 0
5 22 1 0
6 8 1 0
6 10 2 0
7 8 2 0
7 13 1 0
9 11 1 0
9 19 1 0
9 20 1 0
10 12 1 0
11 15 2 0
11 16 1 0
12 17 2 0
12 18 1 0
15 17 1 0
16 18 2 0
M END
> <PUBCHEM_COMPOUND_CID> (182)
848598
$$$$
808421
23 26 0 0 0 0 0 0 0 0999 V2000
6.1275 3.4647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9014 2.4405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6463 -1.2717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3834 0.3954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1154 -0.6046 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0515 -2.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3834 -0.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0402 -2.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2494 -1.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6678 -1.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2494 0.8954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6150 -3.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1154 0.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6609 -2.9052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2164 -3.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2463 -3.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2333 1.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0254 0.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1314 2.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0334 1.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2596 3.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7655 1.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 20 1 0
1 22 1 0
2 21 1 0
2 23 1 0
3 6 1 0
3 7 1 0
3 10 1 0
4 7 2 0
4 11 1 0
5 9 2 0
5 13 1 0
6 8 2 0
6 12 1 0
7 9 1 0
8 9 1 0
8 14 1 0
10 15 1 0
11 13 2 0
11 18 1 0
12 16 2 0
13 19 1 0
14 17 2 0
16 17 1 0
18 20 2 0
19 21 2 0
20 21 1 0
M END
> <PUBCHEM_COMPOUND_CID> (183)
808421
$$$$
807561
19 21 0 0 0 0 0 0 0 0999 V2000
9.3600 1.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2763 1.0547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.3600 -0.6160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2763 -0.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8600 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8600 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 16 2 0
2 4 1 0
2 6 1 0
2 7 1 0
3 7 1 0
3 8 2 0
4 12 2 0
5 16 1 0
6 9 2 0
6 13 1 0
7 10 2 0
8 9 1 0
8 11 1 0
10 12 1 0
11 14 2 0
11 15 1 0
12 16 1 0
14 17 1 0
15 18 2 0
17 19 2 0
18 19 1 0
M END
> <PUBCHEM_COMPOUND_CID> (184)
807561
$$$$
794007
16 17 0 0 0 0 0 0 0 0999 V2000
4.3802 -1.7074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1906 -0.0246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6906 0.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6906 0.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1906 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1906 1.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1906 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7568 -0.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7568 0.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1906 1.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1906 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6906 0.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7818 -1.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7818 1.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 8 2 0
2 3 1 0
2 5 1 0
3 4 1 0
4 6 2 0
4 7 1 0
5 8 1 0
5 9 2 0
6 10 1 0
7 11 2 0
8 13 1 0
9 14 1 0
10 12 2 0
11 12 1 0
13 15 2 0
14 16 2 0
15 16 1 0
M END
> <PUBCHEM_COMPOUND_CID> (185)
794007
$$$$
773821
17 18 0 0 0 0 0 0 0 0999 V2000
5.1350 -2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 0.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 17 1 0
2 17 2 0
3 5 1 0
3 7 1 0
4 6 1 0
5 6 2 0
5 8 1 0
6 9 1 0
7 12 2 0
7 13 1 0
8 11 2 0
9 10 2 0
10 11 1 0
10 17 1 0
12 14 1 0
13 15 2 0
14 16 2 0
15 16 1 0
M END
> <PUBCHEM_COMPOUND_CID> (186)
773821
$$$$
768661
19 21 0 0 0 0 0 0 0 0999 V2000
2.4049 1.7543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3780 -1.5012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0864 -2.6552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5274 1.1552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0274 -0.3836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7183 0.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3424 -1.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0274 -0.3836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3219 -0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3364 0.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7029 0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5274 2.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7123 -1.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3518 0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7328 -0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0547 0.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3934 2.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3991 -1.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 12 2 0
2 19 1 0
3 19 2 0
4 6 1 0
4 10 1 0
4 13 1 0
5 6 2 0
5 7 1 0
5 8 1 0
6 12 1 0
7 9 1 0
8 10 2 0
8 14 1 0
9 11 1 0
10 15 1 0
11 12 1 0
13 18 1 0
14 16 2 0
15 17 2 0
16 17 1 0
16 19 1 0
M END
> <PUBCHEM_COMPOUND_CID> (187)
768661
$$$$
760469
19 20 0 0 0 0 0 0 0 0999 V2000
2.8660 -0.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.9806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.9806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9641 3.5194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9641 3.5194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2731 2.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6551 2.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2242 2.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7040 2.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0
1 18 1 0
2 11 1 0
2 19 1 0
3 4 1 0
3 9 1 0
3 10 1 0
4 13 2 0
5 6 1 0
5 9 2 0
6 10 2 0
7 8 2 0
7 12 1 0
7 13 1 0
8 11 1 0
9 16 1 0
10 17 1 0
11 14 2 0
12 15 2 0
14 15 1 0
M END
> <PUBCHEM_COMPOUND_CID> (188)
760469
$$$$
759953
17 17 0 0 0 0 0 0 0 0999 V2000
4.5929 -2.0758 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.9589 0.9630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2268 0.9630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7976 -2.4630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3328 -0.8157 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.5961 -1.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8529 -0.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9019 -1.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5471 -1.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3882 -2.4630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0929 -0.5370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5929 -2.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2839 -1.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0929 0.4630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9589 1.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5897 -1.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8249 2.4630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0
1 13 1 0
2 14 1 0
2 15 1 0
3 14 2 0
4 16 2 0
5 13 1 0
5 16 1 0
6 7 1 0
6 9 1 0
6 10 1 0
7 8 1 0
8 11 1 0
8 12 2 0
11 13 2 0
11 14 1 0
15 17 1 0
M END
> <PUBCHEM_COMPOUND_CID> (189)
759953
$$$$
759033
24 26 0 0 0 0 0 0 0 0999 V2000
3.0000 -1.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -5.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0
1 4 2 0
1 6 1 0
1 13 1 0
2 24 1 0
5 7 1 0
5 8 1 0
5 11 1 0
6 9 1 0
6 10 1 0
7 9 1 0
8 10 1 0
11 12 1 0
12 14 2 0
12 15 1 0
13 16 2 0
13 17 1 0
14 18 1 0
14 19 1 0
15 20 2 0
16 22 1 0
17 23 2 0
18 21 2 0
20 21 1 0
22 24 2 0
23 24 1 0
M END
> <PUBCHEM_COMPOUND_CID> (190)
759033
$$$$
756722
19 21 0 0 0 0 0 0 0 0999 V2000
4.5981 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5443 -1.4453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5443 -3.0547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1279 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 11 1 0
1 19 1 0
2 7 1 0
2 9 1 0
3 10 1 0
3 17 1 0
4 9 1 0
4 18 2 0
5 13 1 0
5 17 2 0
6 13 2 0
6 18 1 0
7 8 1 0
8 11 2 0
8 12 1 0
9 10 2 0
10 13 1 0
11 14 1 0
12 15 2 0
14 16 2 0
15 16 1 0
M END
> <PUBCHEM_COMPOUND_CID> (191)
756722
$$$$
753835
16 17 0 0 0 0 0 0 0 0999 V2000
3.7321 0.9827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.4827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0901 -0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0901 1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 -0.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 1.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 12 2 0
2 6 1 0
2 12 1 0
3 12 1 0
3 15 1 0
3 16 1 0
4 7 2 0
4 10 1 0
5 7 1 0
5 8 2 0
5 9 1 0
6 8 1 0
6 10 2 0
7 11 1 0
9 13 2 0
11 14 2 0
13 14 1 0
M END
> <PUBCHEM_COMPOUND_CID> (192)
753835
$$$$
753335
20 23 0 0 0 0 0 0 0 0999 V2000
6.4142 2.2582 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.0271 -0.9573 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.8962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7642 0.7098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0417 -2.5908 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5972 -3.6470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5122 2.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6141 2.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6302 1.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4962 0.7098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4062 1.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0088 3.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0088 3.6431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4962 -0.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6302 -0.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7642 -0.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4210 -1.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4323 -1.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9957 -2.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6271 -3.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0
1 11 1 0
2 16 1 0
2 18 1 0
3 19 2 0
4 9 1 0
4 16 2 0
5 17 1 0
5 20 1 0
6 19 1 0
6 20 2 0
7 8 1 0
7 12 1 0
7 13 1 0
8 9 1 0
9 10 2 0
10 11 1 0
10 14 1 0
14 15 2 0
15 16 1 0
15 17 1 0
17 18 2 0
18 19 1 0
M END
> <PUBCHEM_COMPOUND_CID> (193)
753335
$$$$
741378
17 18 0 0 0 0 0 0 0 0999 V2000
3.2688 -4.4920 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.1810 1.8559 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.4598 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.5784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 2.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0779 0.0958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7688 1.0469 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2688 -1.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2688 -0.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1349 -1.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4028 -1.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1349 -2.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4028 -2.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2688 -3.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7688 1.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4067 4.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 14 1 0
2 15 1 0
2 16 1 0
3 9 1 0
3 15 1 0
4 16 1 0
4 17 1 0
5 16 2 0
6 7 1 0
6 9 2 0
7 15 2 0
8 9 1 0
8 10 2 0
8 11 1 0
10 12 1 0
11 13 2 0
12 14 2 0
13 14 1 0
M END
> <PUBCHEM_COMPOUND_CID> (194)
741378
$$$$
722911
17 19 0 0 0 0 0 0 0 0999 V2000
5.4641 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2241 -0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2241 1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 -0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 10 2 0
2 5 1 0
2 7 1 0
3 7 2 0
3 10 1 0
4 16 2 0
4 17 1 0
5 6 2 0
5 9 1 0
6 10 1 0
6 11 1 0
7 8 1 0
8 14 2 0
8 15 1 0
9 12 2 0
11 13 2 0
12 13 1 0
14 16 1 0
15 17 2 0
M END
> <PUBCHEM_COMPOUND_CID> (195)
722911
$$$$
712700
19 22 0 0 0 0 0 0 0 0999 V2000
3.8936 1.3422 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.3089 -0.6296 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9038 -1.5374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8936 -0.2673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 0.5374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5719 1.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5719 0.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7059 1.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7059 -0.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8398 1.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8398 0.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9151 -1.4344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2874 -0.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3100 0.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5981 0.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9552 -1.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5766 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9338 -0.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2444 -0.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0
1 14 1 0
2 3 1 0
2 7 1 0
2 13 1 0
3 12 2 0
4 11 1 0
4 14 2 0
5 14 1 0
6 7 1 0
6 8 1 0
7 9 2 0
8 10 1 0
9 11 1 0
9 12 1 0
10 11 2 0
13 15 2 0
13 16 1 0
15 17 1 0
16 18 2 0
17 19 2 0
18 19 1 0
M END
> <PUBCHEM_COMPOUND_CID> (196)
712700
$$$$
708255
22 23 0 0 0 0 0 0 0 0999 V2000
2.0000 2.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 4.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 21 2 0
2 19 2 0
3 8 1 0
3 9 1 0
3 10 1 0
4 5 1 0
4 19 1 0
4 21 1 0
5 18 2 0
6 7 1 0
6 21 1 0
7 20 2 0
8 11 2 0
8 12 1 0
9 13 1 0
10 14 1 0
11 16 1 0
12 17 2 0
15 16 2 0
15 17 1 0
15 18 1 0
19 20 1 0
20 22 1 0
M END
> <PUBCHEM_COMPOUND_CID> (197)
708255
$$$$
707260
23 26 0 0 0 0 0 0 0 0999 V2000
6.4887 -0.2803 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 3.2868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5915 0.7144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4665 -0.0707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -0.1773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5000 -0.1773 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 1.5548 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8319 -1.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9380 -1.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6979 -1.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 0.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8319 -2.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 0.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 1.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0319 -1.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5640 -1.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 3.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9380 -3.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6979 -3.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0319 -2.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5640 -2.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0
1 4 2 0
1 6 1 0
1 10 1 0
2 18 1 0
2 19 1 0
5 13 2 0
6 9 1 0
6 11 1 0
7 13 1 0
7 14 1 0
7 15 1 0
8 9 2 0
8 10 1 0
8 12 1 0
9 16 1 0
10 17 2 0
11 13 1 0
12 20 2 0
12 21 1 0
14 18 1 0
15 19 1 0
16 22 2 0
17 23 1 0
20 22 1 0
21 23 2 0
M END
> <PUBCHEM_COMPOUND_CID> (198)
707260
$$$$
703165
21 24 0 0 0 0 0 0 0 0999 V2000
2.5369 0.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -1.2154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4930 -1.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4849 -2.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3870 -3.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2529 -2.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -0.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1510 -3.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0450 -1.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0530 -2.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 2.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 2.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 3.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0
2 12 2 0
3 4 1 0
3 5 1 0
3 10 1 0
4 8 2 0
4 9 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 13 1 0
9 12 1 0
9 14 2 0
10 11 2 0
11 12 1 0
11 16 1 0
13 15 2 0
14 15 1 0
16 17 2 0
16 18 1 0
17 19 1 0
18 20 2 0
19 21 2 0
20 21 1 0
M END
> <PUBCHEM_COMPOUND_CID> (199)
703165
$$$$
695392
24 27 0 0 0 0 0 0 0 0999 V2000
2.0000 -3.3796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3938 -4.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7370 3.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7370 0.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4691 0.2874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2290 1.2528 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4691 1.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3351 1.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3351 2.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6030 -1.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7370 -2.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6030 -3.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7370 -1.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6030 1.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6030 -0.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4691 3.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6030 2.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4691 -1.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4691 -2.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2290 3.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4051 -4.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1351 2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1351 1.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7370 4.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 11 1 0
1 21 1 0
2 12 1 0
2 21 1 0
3 17 1 0
3 24 1 0
4 15 2 0
5 7 1 0
5 15 1 0
6 8 2 0
6 23 1 0
7 8 1 0
7 14 2 0
8 9 1 0
9 16 1 0
9 20 2 0
10 13 2 0
10 15 1 0
10 18 1 0
11 12 2 0
11 13 1 0
12 19 1 0
14 17 1 0
16 17 2 0
18 19 2 0
20 22 1 0
22 23 2 0
M END
> <PUBCHEM_COMPOUND_CID> (200)
695392
$$$$
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