fragmenstein/demo/mpro_mols/Mpro-x2703.mol
x2703
RDKit 3D
34 36 0 0 0 0 0 0 0 0999 V2000
7.3000 -1.4080 21.7070 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8440 -4.6770 20.1750 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3810 -2.3460 20.9820 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1470 -3.8610 21.4270 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4910 1.9880 22.6650 N 0 0 0 0 0 0 0 0 0 0 0 0
8.8990 1.2800 21.0240 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5270 -2.4830 21.3690 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4390 0.3830 17.6600 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9000 -0.0070 21.3940 C 0 0 1 0 0 0 0 0 0 0 0 0
10.9500 -1.7200 22.3350 N 0 0 0 0 0 0 0 0 0 0 0 0
7.8940 1.1230 21.7100 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1230 3.2460 22.8820 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3460 3.2930 23.5720 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0010 2.0520 24.1410 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3140 1.5140 25.3860 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9560 4.5350 23.7450 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3770 5.6880 23.2400 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1800 5.6170 22.5510 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5170 4.4020 22.3750 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1590 4.3690 21.7200 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2200 0.2210 20.0550 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8750 -0.0280 18.8570 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2860 1.0600 17.6290 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5410 1.3420 18.7570 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0140 0.9040 19.9790 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5510 -1.5650 22.4040 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7640 -1.5790 21.7220 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9620 -1.8760 23.6690 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7950 -1.8920 24.4260 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5790 -1.7260 23.7860 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3600 -1.9910 24.2970 C 0 0 2 0 0 0 0 0 0 0 0 0
12.4210 -3.0550 25.3960 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8470 -0.6450 24.8230 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0450 -3.8330 19.1300 R 0 0 0 0 0 0 0 0 0 0 0 0
2 4 1 0
1 7 1 0
3 7 2 0
4 7 1 0
1 9 1 0
5 11 1 0
6 11 2 0
9 11 1 1
5 12 1 0
12 13 2 0
13 14 1 0
14 15 1 0
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17 18 1 0
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19 20 1 0
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10 27 2 0
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10 28 1 0
28 29 2 0
26 30 2 0
29 30 1 0
28 31 1 0
31 32 1 1
31 33 1 0
2 34 1 0
M END