fragmenstein/demo/mpro_mols/Mpro-6yvf.mol
RDKit 3D
30 33 0 0 0 0 0 0 0 0999 V2000
21.4580 -25.9600 18.3680 C 0 0 0 0 0 0 0 0 0 0 0 0
21.1780 -25.6860 19.7110 C 0 0 0 0 0 0 0 0 0 0 0 0
21.6450 -24.5900 20.2910 N 0 0 0 0 0 0 0 0 0 0 0 0
22.4070 -23.7020 19.5930 C 0 0 0 0 0 0 0 0 0 0 0 0
22.9370 -22.4530 20.2810 N 0 0 0 0 0 0 0 0 0 0 0 0
22.6440 -22.1840 21.6500 C 0 0 0 0 0 0 0 0 0 0 0 0
21.8290 -23.1200 22.4000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.3200 -24.3350 21.7350 C 0 0 0 0 0 0 0 0 0 0 0 0
20.6530 -25.1140 22.3390 O 0 0 0 0 0 0 0 0 0 0 0 0
23.1930 -20.9700 22.2280 N 0 0 0 0 0 0 0 0 0 0 0 0
23.0090 -20.5190 23.5870 C 0 0 0 0 0 0 0 0 0 0 0 0
24.3060 -20.0480 24.2490 C 0 0 0 0 0 0 0 0 0 0 0 0
25.0230 -19.1250 23.4630 O 0 0 0 0 0 0 0 0 0 0 0 0
25.2840 -19.6390 22.1790 C 0 0 0 0 0 0 0 0 0 0 0 0
23.9950 -20.0450 21.4660 C 0 0 0 0 0 0 0 0 0 0 0 0
22.7280 -23.9070 18.2560 C 0 0 0 0 0 0 0 0 0 0 0 0
22.2490 -25.0540 17.6120 C 0 0 0 0 0 0 0 0 0 0 0 0
23.5820 -22.8880 17.5020 C 0 0 1 0 0 0 0 0 0 0 0 0
25.0210 -23.3980 17.3950 C 0 0 0 0 0 0 0 0 0 0 0 0
20.9090 -27.2250 17.7130 C 0 0 0 0 0 0 0 0 0 0 0 0
23.0450 -22.6860 16.1630 N 0 0 0 0 0 0 0 0 0 0 0 0
21.8620 -21.8720 15.9410 C 0 0 0 0 0 0 0 0 0 0 0 0
20.2460 -20.9330 14.4280 C 0 0 0 0 0 0 0 0 0 0 0 0
21.3720 -21.7090 14.6540 C 0 0 0 0 0 0 0 0 0 0 0 0
19.6040 -20.3190 15.4900 C 0 0 0 0 0 0 0 0 0 0 0 0
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20.0890 -20.4790 16.7770 C 0 0 0 0 0 0 0 0 0 0 0 0
22.0730 -22.3800 13.4750 C 0 0 0 0 0 0 0 0 0 0 0 0
23.0170 -23.1880 13.6840 O 0 0 0 0 0 0 0 0 0 0 0 0
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11 10 1 0
12 11 1 0
13 12 1 0
14 13 1 0
15 14 1 0
15 10 1 0
16 4 1 0
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17 16 2 0
18 16 1 0
18 19 1 6
20 1 1 0
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22 21 1 0
24 23 2 0
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25 23 1 0
26 22 2 0
27 25 2 0
27 26 1 0
28 24 1 0
29 28 2 0
30 28 1 0
M END