fragmenstein/demo/mpro_mols/Mpro-x3117.mol
x3117
RDKit 3D
32 34 0 0 0 0 0 0 0 0999 V2000
7.4280 -1.2900 21.7830 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0020 -4.3280 20.0520 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4250 -2.2160 21.3100 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2410 -3.7200 21.4230 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8580 2.0760 22.6140 N 0 0 0 0 0 0 0 0 0 0 0 0
9.1000 1.2060 20.9560 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6180 -2.3560 21.5160 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4200 0.2370 17.7010 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7250 5.3830 24.4220 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0220 0.1000 21.4390 C 0 0 1 0 0 0 0 0 0 0 0 0
8.1070 1.1640 21.6720 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7640 3.1920 22.8660 C 0 0 1 0 0 0 0 0 0 0 0 0
8.0120 4.5160 22.9160 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0010 5.6230 23.2000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4740 4.1550 24.3580 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5680 2.9650 24.1410 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3160 0.3030 20.1080 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8820 -0.1070 18.9080 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3240 1.0030 17.6610 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6680 1.4480 18.7920 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1740 1.0890 20.0250 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6630 -1.4450 22.4990 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8600 -1.6610 21.8160 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0490 -1.7770 22.5170 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0800 -1.6830 23.9080 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8760 -1.4860 24.5790 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6810 -1.3660 23.8900 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3980 -1.7460 24.6940 C 0 0 2 0 0 0 0 0 0 0 0 0
12.5210 -0.5160 25.5950 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6200 -1.7690 23.7770 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4620 -3.0040 25.5810 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1870 -3.7230 18.8140 R 0 0 0 0 0 0 0 0 0 0 0 0
2 4 1 0
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3 7 2 0
4 7 1 0
1 10 1 0
5 11 1 0
6 11 2 0
10 11 1 1
12 5 1 1
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23 24 1 0
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28 29 1 1
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28 31 1 0
2 32 1 0
M END