0
|
1 caffeine
|
|
2 MayaChem07151112042D
|
|
3
|
|
4 14 15 0 0 0 0 0 0 0 0999 V2000
|
|
5 2.6792 -10.5917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
|
|
6 2.6792 -11.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
7 3.3912 -11.8250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
|
|
8 3.3912 -10.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
9 4.8813 -11.6704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
10 5.3669 -11.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
11 4.8859 -10.3403 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
|
|
12 4.1032 -10.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
13 4.1003 -11.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
14 5.1435 -9.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
15 3.3912 -9.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
16 1.9635 -10.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
17 1.9653 -11.8302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
18 3.3932 -12.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
19 1 4 1 0 0 0 0
|
|
20 2 3 1 0 0 0 0
|
|
21 3 9 1 0 0 0 0
|
|
22 5 6 2 0 0 0 0
|
|
23 7 8 1 0 0 0 0
|
|
24 9 5 1 0 0 0 0
|
|
25 8 4 1 0 0 0 0
|
|
26 7 10 1 0 0 0 0
|
|
27 8 9 2 0 0 0 0
|
|
28 4 11 2 0 0 0 0
|
|
29 1 12 1 0 0 0 0
|
|
30 1 2 1 0 0 0 0
|
|
31 2 13 2 0 0 0 0
|
|
32 6 7 1 0 0 0 0
|
|
33 3 14 1 0 0 0 0
|
|
34 M END
|