fragmenstein/demo/mac1_mols/mac-x0496.mol
mac-x0496
RDKit 3D
19 20 0 0 0 0 0 0 0 0999 V2000
-9.8080 17.9820 4.5820 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.9460 16.9550 3.4570 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.8710 16.9180 2.4930 N 0 0 0 0 0 0 0 0 0 0 0 0
-10.6070 15.8090 1.7390 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.5110 15.2340 2.2520 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8260 13.9810 1.7540 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3870 14.1900 1.6470 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.8130 14.6270 0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5040 14.8240 -0.5330 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2980 14.8180 0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5260 14.8930 1.4270 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1500 15.0560 1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5590 15.1360 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3490 15.0660 -1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7430 15.1330 -2.4700 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5190 14.9670 -2.6260 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4980 15.3310 -3.4670 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7050 14.8930 -0.9550 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1220 15.9340 3.2930 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 2 0
8 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 1 0
15 16 2 0
15 17 1 0
10 18 1 0
14 18 2 0
2 19 1 0
5 19 2 0
M END