fragmenstein/demo/mac1_mols/diamond-x0662_A.mol
RDKit 3D
18 19 0 0 0 0 0 0 0 0999 V2000
4.4180 9.9190 -14.1530 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4940 9.4110 -14.9950 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4530 8.2900 -10.9400 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8130 11.1590 -14.2170 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9360 9.1380 -13.1510 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7100 11.4000 -5.1360 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9050 11.2020 -13.2050 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6290 10.4030 -10.6260 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0880 12.4070 -5.9780 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0090 9.9160 -12.5590 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3260 9.4530 -11.3290 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7890 10.1900 -9.5030 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1770 9.1890 -9.5730 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9860 8.9280 -8.4790 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8490 9.6650 -7.3220 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0950 10.6840 -7.2460 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9250 10.9360 -8.3370 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1690 11.5610 -6.0260 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 4 1 0
1 5 1 0
4 7 2 0
5 10 2 0
3 11 2 0
11 8 1 0
11 10 1 0
7 10 1 0
6 18 2 0
18 9 1 0
18 16 1 0
8 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
17 16 2 0
14 15 2 0
15 16 1 0
M CHG 1 9 -1
M END