fragmenstein/demo/mpro_mols/Mpro-x2694.mol
x2694
RDKit 3D
34 36 0 0 0 0 0 0 0 0999 V2000
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6.9730 -4.3270 20.0900 C 0 0 0 0 0 0 0 0 0 0 0 0
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9.2480 1.4740 21.0910 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9050 -2.1450 21.3540 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5890 0.4590 17.7130 N 0 0 0 0 0 0 0 0 0 0 0 0
10.8410 6.7630 24.2690 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1470 0.3610 21.4630 C 0 0 1 0 0 0 0 0 0 0 0 0
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8.6080 3.5070 23.0430 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6690 3.2720 23.9390 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9320 1.9080 24.5280 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4420 4.3540 24.3430 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1560 5.6360 23.8980 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9290 6.6420 25.1920 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1070 5.8590 23.0210 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3290 4.7970 22.5940 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4580 0.5290 20.1190 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0750 0.1720 18.9270 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4300 1.1230 17.6590 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7230 1.5110 18.7830 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2480 1.2000 20.0220 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8030 -1.1850 22.5630 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8730 -1.3160 23.2820 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1650 -1.2320 22.1480 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3770 -1.3610 23.4790 C 0 0 2 0 0 0 0 0 0 0 0 0
12.8770 0.0010 23.9580 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0600 -1.7160 22.1570 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7430 -2.4040 24.5350 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2050 -3.6930 18.9810 R 0 0 0 0 0 0 0 0 0 0 0 0
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30 33 1 0
2 34 1 0
M END