fragmenstein/demo/mpro_mols/Mpro-7jkv.mol
RDKit 3D
41 45 0 0 0 0 0 0 0 0999 V2000
7.3990 -3.5400 20.1760 C 0 0 2 0 0 0 0 0 0 0 0 0
7.9300 -4.1900 21.2960 C 0 0 0 0 0 0 0 0 0 0 0 0
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9.6500 -6.3400 25.2390 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1410 -6.0060 23.9820 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.1480 0.1580 19.5830 C 0 0 2 0 0 0 0 0 0 0 0 0
4.9920 0.1800 20.6300 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1450 1.4720 20.2330 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5040 0.8820 18.4110 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7140 -0.8460 22.0260 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1480 -0.4270 22.3050 C 0 0 2 0 0 0 0 0 0 0 0 0
10.8700 -1.5260 23.0920 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3470 -1.1910 23.1650 C 0 0 2 0 0 0 0 0 0 0 0 0
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12.9840 -2.0700 24.2920 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8620 2.0810 22.3880 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9140 3.2720 23.1190 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2840 3.5260 24.4330 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0860 4.8730 24.6550 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2450 5.7120 25.7430 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8480 5.9510 28.1240 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9580 7.0800 25.6520 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4480 7.5940 24.4550 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2840 6.7710 23.3550 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5990 5.4530 23.4640 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1850 -4.2920 22.4440 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4310 1.5610 18.7810 N 0 0 0 0 0 0 0 0 0 0 0 0
8.5490 -1.3930 20.8150 N 0 0 0 0 0 0 0 0 0 0 0 0
10.1620 0.9060 22.9890 N 0 0 0 0 0 0 0 0 0 0 0 0
9.4520 4.4770 22.5570 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1520 -4.0300 19.7870 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9460 0.9280 17.2590 O 0 0 0 0 0 0 0 0 0 0 0 0
10.7470 5.1300 26.9020 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4870 2.0100 21.2060 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8050 -0.7960 22.8680 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5390 -4.7930 21.5330 S 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0
4 3 2 0
5 4 1 0
6 5 2 0
7 6 1 0
8 7 2 0
8 3 1 0
9 1 1 0
9 10 1 6
11 10 1 6
12 11 1 0
13 12 1 0
14 11 1 0
16 15 1 0
16 17 1 1
18 17 1 0
18 19 1 6
20 18 1 0
22 21 1 0
23 22 2 0
24 23 1 0
25 24 2 0
27 25 1 0
28 27 2 0
29 28 1 0
30 24 1 0
30 29 2 0
31 2 2 0
31 3 1 0
32 13 1 0
32 14 1 0
33 9 1 0
33 15 1 0
34 21 1 0
34 16 1 0
35 22 1 0
35 30 1 0
1 36 1 1
37 14 2 0
38 25 1 0
38 26 1 0
39 21 2 0
40 15 2 0
41 2 1 0
41 8 1 0
M END