RDKit 2D 39 42 0 0 0 0 0 0 0 0999 V2000 6.4310 -3.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3529 -2.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7170 -0.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6389 0.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1967 -0.2273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0030 1.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4582 1.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3672 3.0952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5479 2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9872 3.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4908 3.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1266 1.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1984 1.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4698 1.9299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7948 1.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0662 2.0227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0126 3.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2840 4.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6876 4.2249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8484 -0.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1734 -0.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4448 -0.1794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7699 -0.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0413 -0.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8235 -2.3815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2271 -2.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5521 -3.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9557 -3.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6307 -2.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5770 -1.0682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3056 -1.8642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 -0.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0194 -1.1611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3444 -0.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 1.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7457 0.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9107 -2.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5466 -4.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8326 -1.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 4 6 1 0 6 7 1 0 6 8 1 0 9 6 1 6 9 10 1 0 10 11 1 0 12 11 1 6 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 1 16 17 1 0 17 18 1 0 17 19 2 0 20 15 1 6 20 21 1 0 21 22 1 6 22 23 1 0 23 24 1 0 23 25 2 0 21 26 1 0 26 27 1 6 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 6 30 32 1 0 32 33 1 6 33 34 1 0 34 35 1 0 35 36 1 6 2 37 1 0 37 38 1 0 37 39 1 0 35 9 1 0 35 12 1 0 32 13 1 0 30 20 1 0 M END $$$$ RDKit 2D 27 28 0 0 0 0 0 0 0 0999 V2000 -7.3912 -1.1923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1400 -0.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2308 1.1322 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9795 1.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6375 1.2894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5467 -0.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7979 -1.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3978 -2.4807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8993 -2.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3732 -1.1422 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9276 -0.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 -1.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5874 -1.3939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6567 -2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1024 -2.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1717 -3.0976 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.2410 -4.1496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2236 -2.0283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1198 -4.1670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5513 0.7099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8944 1.1100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2707 2.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7164 2.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0927 4.4142 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.4690 5.8662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5447 4.0379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6407 4.7905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 16 19 1 0 11 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 24 27 1 0 7 2 1 0 10 6 1 0 M END $$$$ RDKit 2D 19 21 0 0 0 0 0 0 0 0999 V2000 2.5988 -2.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4203 -1.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4664 -0.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9205 -0.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9665 0.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5586 1.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1045 2.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0584 1.2594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6206 -2.5281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8334 -2.1597 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9324 -0.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2014 0.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 1.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4124 2.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7395 1.7361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7976 0.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5285 -0.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5866 -2.0613 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4605 -0.1064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 2 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 11 19 1 0 19 2 1 0 8 3 1 0 17 12 1 0 M END $$$$ RDKit 2D 16 18 0 0 0 0 0 0 0 0999 V2000 -4.8358 -0.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7891 0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4674 1.4798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1923 0.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8706 1.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4045 0.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7262 1.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0013 0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3900 1.0954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3585 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5685 -1.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1117 -0.9677 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3579 -0.8903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9638 -1.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2389 -0.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5607 -1.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 6 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 1 1 0 15 4 1 0 12 8 1 0 M END $$$$ RDKit 2D 20 22 0 0 0 0 0 0 0 0999 V2000 3.6267 2.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7141 1.0853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2269 1.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6521 2.6658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3143 0.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1729 0.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0854 -0.9057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5107 -2.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0234 -2.4862 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8891 -1.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3764 -1.4907 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -2.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2889 -0.3002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7761 -0.4953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5727 -0.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4852 -1.9012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1475 0.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2349 1.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7477 1.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8351 2.8608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 2 0 7 15 1 0 15 16 2 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 13 2 1 0 10 5 1 0 19 6 1 0 M END $$$$ RDKit 2D 21 24 0 0 0 0 0 0 0 0999 V2000 -3.6063 2.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2956 1.5291 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4111 0.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1004 -0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6742 -1.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3634 -2.8733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9372 -3.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1783 -2.3351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1324 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5587 -0.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8694 1.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7539 2.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6724 1.6026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7879 2.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2141 2.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5248 0.6733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9510 0.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2617 -1.2588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4093 -0.3295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7200 -1.7970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9831 0.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 6 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 16 19 1 0 19 20 1 0 19 21 2 0 11 2 1 0 21 13 1 0 10 5 1 0 21 9 1 0 M END $$$$ RDKit 2D 53 56 0 0 0 0 0 0 0 0999 V2000 7.4814 -6.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9909 -6.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5004 -6.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1594 -7.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8224 -4.6961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4473 -4.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2408 -4.9880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2788 -2.6063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9038 -2.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6972 -2.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3221 -2.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8844 -3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2595 -2.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4280 -1.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8031 -0.5009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2214 -0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1536 -0.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7353 -0.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3602 0.0828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9418 0.3747 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7733 1.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9799 2.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3549 2.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6783 0.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1713 0.5473 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7706 1.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1935 2.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4938 3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3713 4.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9484 4.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6480 2.9173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3982 2.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2297 3.9550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 1.5733 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1834 2.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 1.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7650 1.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9716 0.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3467 1.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5532 0.6977 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9283 1.2970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0968 2.7876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1348 0.4059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5099 1.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7165 0.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0915 0.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2981 -0.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1296 -1.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7545 -2.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5480 -1.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3519 3.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8547 4.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7270 4.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 1 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 9 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 1 22 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 21 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 1 1 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 2 0 35 51 1 0 51 52 2 0 51 53 1 0 17 11 1 0 31 23 1 0 50 45 1 0 31 26 1 0 M END $$$$ RDKit 2D 23 25 0 0 0 0 0 0 0 0999 V2000 1.9430 -3.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5074 -1.8535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9932 -1.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5576 -0.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0434 -0.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6078 1.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6865 2.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2007 2.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6363 0.9261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5861 -0.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1505 0.7200 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1003 -0.8758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6063 -2.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0830 -1.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2891 -0.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6123 0.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6619 1.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9850 2.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2585 1.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2089 0.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4824 -0.6220 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.8858 -0.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9397 0.2050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 2 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 20 22 2 0 15 23 2 0 9 4 1 0 23 12 1 0 22 16 1 0 M END $$$$