fragmenstein/demo/mpro_mols/Mpro-x10678.mol
RDKit 3D
22 24 0 0 0 0 0 0 0 0999 V2000
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6.7620 -3.2770 20.1530 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7320 -3.2730 23.7210 C 0 0 2 0 0 0 0 0 0 0 0 0
12.3550 -0.8580 22.2470 C 0 0 2 0 0 0 0 0 0 0 0 0
8.0650 -1.8410 21.7470 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6270 0.3820 24.1690 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6170 -4.0840 23.5080 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4110 -0.2810 24.1340 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1400 -1.2200 23.1450 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6310 -4.9230 25.2390 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1220 -1.5070 22.2000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5400 -3.5770 22.5830 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4220 -1.2800 21.3770 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7400 -3.7110 24.5800 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5270 -5.7170 25.0360 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2980 -2.4410 19.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2930 -1.6030 20.7120 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0070 -4.2110 19.9390 O 0 0 0 0 0 0 0 0 0 0 0 0
12.5960 0.1080 23.2210 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7720 -1.8910 23.1110 C 0 0 2 0 0 0 0 0 0 0 0 0
7.5250 -5.3070 24.1690 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7740 -3.3860 18.6720 S 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0
5 1 1 0
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11 9 1 0
11 4 1 0
12 1 1 0
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4 13 1 1
14 10 1 0
3 14 1 1
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16 2 1 0
17 13 1 0
18 2 1 0
19 6 1 0
19 4 1 0
20 5 1 0
20 9 1 6
20 3 1 0
21 15 1 0
21 7 1 0
16 22 1 0
M END