fragmenstein/demo/mac1_mols/mac-x0570.mol
mac-x0570
RDKit 3D
25 25 0 0 0 0 0 0 0 0999 V2000
4.7840 37.3360 -3.9730 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0990 39.6800 1.9190 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3070 37.9310 -2.6730 C 0 0 2 0 0 0 0 0 0 0 0 0
8.1060 39.6070 0.7870 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4970 39.4240 -2.8910 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7720 39.1300 1.3330 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6480 37.2970 -2.3300 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6430 38.5640 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3420 37.7040 -1.5040 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9260 40.9690 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4520 36.6500 -1.4900 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9390 41.9150 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6110 36.4650 -0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7670 43.1410 -0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6490 37.3210 0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5690 43.4400 -1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7850 37.1510 1.7720 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3730 44.6810 -1.8070 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5430 38.3680 0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5530 42.4900 -1.1430 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6000 39.2520 1.7060 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3410 42.7640 -1.7720 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3800 38.5550 -0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7390 41.2720 -0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4250 35.2560 -0.4080 R 0 0 0 0 0 0 0 0 0 0 0 0
3 1 1 6
4 2 1 1
3 5 1 0
4 6 1 0
3 7 1 0
4 8 1 0
3 9 1 0
4 10 1 0
9 11 2 0
10 12 1 0
11 13 1 0
12 14 1 0
13 15 2 0
14 16 1 0
15 17 1 0
16 18 1 0
15 19 1 0
16 20 1 0
19 21 1 0
20 22 1 0
9 23 1 0
19 23 2 0
10 24 1 0
20 24 1 0
13 25 1 0
M END