DiffLinker / examples /3hz1_fragments.sdf
igashov's picture
Pocket-conditioned generation
c104a99
fragments
PyMOL2.5 3D 0
23 25 0 0 0 0 0 0 0 0999 V2000
0.7050 10.1160 25.5000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4250 10.6930 24.7810 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6420 10.9060 25.5370 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7510 10.5210 26.8370 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6900 9.9510 27.4380 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4770 9.7630 26.7990 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6830 11.1870 23.5600 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9660 11.6240 23.5390 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5810 11.4250 24.7070 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9520 9.8170 24.8700 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1230 9.3980 25.6290 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1100 9.7530 23.4320 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8600 10.1360 22.6040 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5530 9.6800 22.8080 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8720 10.7150 23.6130 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8390 11.6780 23.7840 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0580 11.3690 23.2280 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6560 12.9400 24.5720 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6630 13.4980 25.2340 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1190 14.6210 25.8930 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8050 14.8140 25.6500 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4220 13.6990 24.7720 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9170 15.9400 26.1920 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 4 0 0 0 0
1 6 4 0 0 0 0
1 10 1 0 0 0 0
2 3 4 0 0 0 0
2 7 4 0 0 0 0
3 4 4 0 0 0 0
3 9 4 0 0 0 0
4 5 4 0 0 0 0
5 6 4 0 0 0 0
7 8 4 0 0 0 0
8 9 4 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
13 14 4 0 0 0 0
13 17 4 0 0 0 0
14 15 4 0 0 0 0
15 16 4 0 0 0 0
16 17 4 0 0 0 0
16 18 1 0 0 0 0
18 19 4 0 0 0 0
18 22 4 0 0 0 0
19 20 4 0 0 0 0
20 21 4 0 0 0 0
21 22 4 0 0 0 0
21 23 1 0 0 0 0
M END
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