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 35 36 37 38 39
|
RDKit 3D
17 17 0 0 0 0 0 0 0 0999 V2000
0.6117 -1.4847 -0.2035 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9222 -1.1995 -0.0866 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2841 0.1202 0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3644 1.1308 0.2628 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0296 0.7924 0.1359 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0227 1.8092 0.2449 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3390 -0.5138 -0.0965 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6916 -0.7907 -0.2143 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0320 -2.1026 -0.4462 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7087 -1.9284 -0.1631 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3334 0.3575 0.2427 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6114 2.1686 0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7126 2.5248 1.0511 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0034 1.4211 0.5293 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0506 2.4321 -0.6891 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6733 -2.4881 0.2617 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3404 -2.2489 -1.4218 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 1 0
5 7 2 0
7 8 1 0
8 9 1 0
7 1 1 0
2 10 1 0
3 11 1 0
4 12 1 0
6 13 1 0
6 14 1 0
6 15 1 0
9 16 1 0
9 17 1 0
M END
|