fragmenstein/demo/mpro_mols/Mpro-x2705.mol
x2705
RDKit 3D
34 36 0 0 0 0 0 0 0 0999 V2000
7.5010 -1.2160 21.7920 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2100 -4.4400 20.2860 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5870 -2.2420 21.2050 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4280 -3.7060 21.5680 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6030 2.1070 22.7170 N 0 0 0 0 0 0 0 0 0 0 0 0
9.0270 1.4080 21.0720 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7570 -2.3640 21.5190 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6260 0.2850 17.6710 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0130 0.1320 21.4330 C 0 0 1 0 0 0 0 0 0 0 0 0
9.9890 -1.1810 24.3450 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0020 1.2700 21.7360 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7200 -1.1710 23.8440 N 0 0 0 0 0 0 0 0 0 0 0 0
8.2080 3.3740 22.9490 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4410 3.4400 23.6200 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1520 2.2020 24.1230 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4880 1.4830 25.2950 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0260 4.6910 23.8010 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4160 5.8360 23.3160 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2070 5.7480 22.6490 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5690 4.5230 22.4690 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2030 4.4600 21.8310 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3710 0.2970 20.0680 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0440 -0.0370 18.9010 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4740 0.9580 17.5740 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7070 1.3100 18.6670 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1640 0.9650 19.9260 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7100 -1.2870 22.5110 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0120 -1.3960 22.0940 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7720 -1.3230 23.2770 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2790 -1.3950 23.4450 C 0 0 1 0 0 0 0 0 0 0 0 0
12.8060 -0.0820 24.0240 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6460 -2.5190 24.4180 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9410 -1.6570 22.0890 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1960 -3.7480 18.9320 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
10 12 1 0
5 13 1 0
13 14 2 0
14 15 1 0
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17 18 2 0
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19 20 2 0
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27 28 2 0
10 29 2 0
28 29 1 0
29 30 1 0
30 31 1 1
30 32 1 0
30 33 1 0
2 34 1 0
M END