fragmenstein/demo/mac1_mols/diamond-x0417_B.mol
RDKit 3D
15 16 0 0 0 0 0 0 0 0999 V2000
-2.7620 31.4380 -17.0460 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5770 31.8700 -17.7850 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1590 32.0660 -14.5430 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5630 30.6970 -15.7910 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.0850 29.7840 -14.2570 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5810 29.1670 -15.9330 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2140 28.6650 -14.6440 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6870 30.9770 -14.8010 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2410 29.5790 -13.4290 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5040 29.4670 -14.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6110 29.2280 -13.1940 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4720 29.1000 -11.8210 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2230 29.1950 -11.2310 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1350 29.4210 -12.0380 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9110 29.4180 -11.4830 F 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
4 1 1 6
4 6 1 0
4 8 1 0
3 8 2 0
8 5 1 0
6 7 1 0
5 7 1 0
5 9 1 0
9 10 2 0
9 14 1 0
10 11 1 0
14 13 2 0
14 15 1 0
11 12 2 0
12 13 1 0
M END