1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34
|
RDKit 3D
15 14 0 0 0 0 0 0 0 0999 V2000
4.0857 -0.2378 -0.1321 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6553 0.5677 0.5658 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3898 -0.1730 0.1579 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0755 0.6378 0.8801 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.3630 -0.4651 0.1975 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7741 -0.0026 0.5483 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2448 1.4640 -0.3487 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.7868 0.5755 1.6524 H 0 0 0 0 0 1 0 0 0 0 0 0
2.6545 1.5999 0.2019 H 0 0 0 0 0 1 0 0 0 0 0 0
1.4242 -1.2096 0.5094 H 0 0 0 0 0 1 0 0 0 0 0 0
1.2870 -0.1773 -0.9324 H 0 0 0 0 0 1 0 0 0 0 0 0
-1.2016 -1.4615 0.6218 H 0 0 0 0 0 1 0 0 0 0 0 0
-1.2429 -0.5352 -0.8888 H 0 0 0 0 0 1 0 0 0 0 0 0
-3.4940 -0.7796 0.2732 H 0 0 0 0 0 1 0 0 0 0 0 0
-2.8874 0.1967 1.6188 H 0 0 0 0 0 1 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
2 8 1 0
2 9 1 0
3 10 1 0
3 11 1 0
5 12 1 0
5 13 1 0
6 14 1 0
6 15 1 0
M END
|