fragmenstein/demo/mpro_mols/Mpro-7c7p.mol
RDKit 3D
25 27 0 0 0 0 0 0 0 0999 V2000
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8.7680 0.9020 23.1250 O 0 0 0 0 0 0 0 0 0 0 0 0
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7.2170 -2.5910 21.5430 C 0 0 1 0 0 0 0 0 0 0 0 0
6.2440 -1.5430 20.8990 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8840 -0.5810 19.8680 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8630 0.2340 19.0470 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4270 -3.9000 20.7480 C 0 0 1 0 0 0 0 0 0 0 0 0
8.3430 -4.7740 21.4670 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0990 -4.6030 20.5100 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4800 -4.4100 19.5030 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5850 -5.4190 21.3210 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0440 -5.8420 22.6250 C 0 0 2 0 0 0 0 0 0 0 0 0
4.9530 -6.7600 23.1860 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1370 -5.3550 23.7470 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 2 0
3 1 1 0
4 3 1 0
5 4 1 6
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10 11 1 1
12 11 2 0
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14 13 1 0
14 15 1 6
16 15 1 0
17 16 1 0
18 14 1 0
18 19 1 1
20 18 1 0
21 20 2 0
22 20 1 0
23 22 1 6
24 23 1 0
25 24 1 0
25 23 1 0
M END