mirror of
https://github.com/OdinZhang/Delete.git
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71 lines
2.9 KiB
Plaintext
71 lines
2.9 KiB
Plaintext
6CM4-ligand
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OpenBabel02202322463D
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30 34 0 0 0 0 0 0 0 0999 V2000
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5.7980 4.5200 -12.8980 C 0 0 0 0 0 0 0 0 0 0 0 0
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7.1440 4.0330 -13.3650 C 0 0 0 0 0 0 0 0 0 0 0 0
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8.2620 4.6000 -12.9090 C 0 0 0 0 0 0 0 0 0 0 0 0
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8.2060 5.7460 -11.8970 C 0 0 0 0 0 0 0 0 0 0 0 0
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8.7980 5.2360 -10.5560 C 0 0 0 0 0 0 0 0 0 0 0 0
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9.8570 7.3230 -9.9030 C 0 0 0 0 0 0 0 0 0 0 0 0
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10.0850 8.3470 -8.7770 C 0 0 0 0 0 0 0 0 0 0 0 0
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10.5980 7.5820 -7.5530 C 0 0 0 0 0 0 0 0 0 0 0 0
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9.5690 6.5280 -7.1200 C 0 0 0 0 0 0 0 0 0 0 0 0
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9.3630 5.5650 -8.2800 C 0 0 0 0 0 0 0 0 0 0 0 0
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10.9780 8.5130 -6.4340 C 0 0 0 0 0 0 0 0 0 0 0 0
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11.6040 9.3870 -4.5610 C 0 0 0 0 0 0 0 0 0 0 0 0
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11.3460 8.1840 -5.1480 C 0 0 0 0 0 0 0 0 0 0 0 0
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11.4800 6.9760 -4.4820 C 0 0 0 0 0 0 0 0 0 0 0 0
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11.8930 7.0420 -3.1520 C 0 0 0 0 0 0 0 0 0 0 0 0
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12.1580 8.2710 -2.5380 C 0 0 0 0 0 0 0 0 0 0 0 0
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12.0170 9.4710 -3.2390 C 0 0 0 0 0 0 0 0 0 0 0 0
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9.5440 4.0890 -13.3910 C 0 0 0 0 0 0 0 0 0 0 0 0
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10.8280 2.5500 -14.8120 C 0 0 0 0 0 0 0 0 0 0 0 0
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10.6590 1.6890 -16.0720 C 0 0 0 0 0 0 0 0 0 0 0 0
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9.6330 0.6130 -15.7710 C 0 0 0 0 0 0 0 0 0 0 0 0
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8.2570 1.2840 -15.6410 C 0 0 0 0 0 0 0 0 0 0 0 0
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8.3110 2.4650 -14.7030 C 0 0 0 0 0 0 0 0 0 0 0 0
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12.5550 8.2900 -1.2570 F 0 0 0 0 0 0 0 0 0 0 0 0
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8.8820 6.2720 -9.4860 N 0 0 0 0 0 0 0 0 0 0 0 0
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11.0470 9.8420 -6.5210 N 0 0 0 0 0 0 0 0 0 0 0 0
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9.5520 3.0330 -14.3060 N 0 0 0 0 0 0 0 0 0 0 0 0
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7.2090 2.9460 -14.2700 N 0 0 0 0 0 0 0 0 0 0 0 0
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11.4040 10.3280 -5.4310 O 0 0 0 0 0 0 0 0 0 0 0 0
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10.7140 4.6530 -12.9830 O 0 0 0 0 0 0 0 0 0 0 0 0
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1 2 1 0 0 0 0
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2 3 2 0 0 0 0
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2 28 1 0 0 0 0
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3 4 1 0 0 0 0
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3 18 1 0 0 0 0
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4 5 1 0 0 0 0
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5 25 1 0 0 0 0
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6 7 1 0 0 0 0
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6 25 1 0 0 0 0
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7 8 1 0 0 0 0
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8 9 1 0 0 0 0
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8 11 1 0 0 0 0
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9 10 1 0 0 0 0
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10 25 1 0 0 0 0
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11 13 1 0 0 0 0
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11 26 2 0 0 0 0
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12 13 2 0 0 0 0
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12 17 1 0 0 0 0
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12 29 1 0 0 0 0
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13 14 1 0 0 0 0
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14 15 2 0 0 0 0
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15 16 1 0 0 0 0
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16 17 2 0 0 0 0
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16 24 1 0 0 0 0
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18 27 1 0 0 0 0
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18 30 2 0 0 0 0
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19 20 1 0 0 0 0
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19 27 1 0 0 0 0
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20 21 1 0 0 0 0
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21 22 1 0 0 0 0
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22 23 1 0 0 0 0
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23 27 1 0 0 0 0
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23 28 2 0 0 0 0
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26 29 1 0 0 0 0
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M END
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$$$$
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