fragmenstein/demo/mac1_mols/mac-x0303.mol
mac-x0303
RDKit 3D
13 14 0 0 0 0 0 0 0 0999 V2000
-8.3980 12.9210 2.5940 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.4560 14.5470 2.0740 S 0 0 2 0 0 0 0 0 0 0 0 0
-8.2380 15.4390 3.0710 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.7110 14.6850 1.4660 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1080 14.7840 0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1670 15.0230 -0.3150 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.9430 15.1390 -0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4210 15.3260 -1.9590 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0420 15.4500 -2.1160 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2100 15.3050 -1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6950 15.0810 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1040 14.9980 0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8960 14.7870 1.3330 N 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 1
2 3 2 0
2 4 2 0
2 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
7 12 1 0
11 12 2 0
5 13 1 0
12 13 1 0
M END