annotate mayachemtools/data/caffeine.mol @ 8:ee20bb82547b draft

Uploaded
author deepakjadmin
date Thu, 15 Dec 2016 14:06:12 -0500
parents 73ae111cf86f
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
rev   line source
0
73ae111cf86f Uploaded
deepakjadmin
parents:
diff changeset
1 caffeine
73ae111cf86f Uploaded
deepakjadmin
parents:
diff changeset
2 MayaChem07151112042D
73ae111cf86f Uploaded
deepakjadmin
parents:
diff changeset
3
73ae111cf86f Uploaded
deepakjadmin
parents:
diff changeset
4 14 15 0 0 0 0 0 0 0 0999 V2000
73ae111cf86f Uploaded
deepakjadmin
parents:
diff changeset
5 2.6792 -10.5917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
73ae111cf86f Uploaded
deepakjadmin
parents:
diff changeset
6 2.6792 -11.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
73ae111cf86f Uploaded
deepakjadmin
parents:
diff changeset
7 3.3912 -11.8250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
73ae111cf86f Uploaded
deepakjadmin
parents:
diff changeset
8 3.3912 -10.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
73ae111cf86f Uploaded
deepakjadmin
parents:
diff changeset
9 4.8813 -11.6704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
73ae111cf86f Uploaded
deepakjadmin
parents:
diff changeset
10 5.3669 -11.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
73ae111cf86f Uploaded
deepakjadmin
parents:
diff changeset
11 4.8859 -10.3403 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
73ae111cf86f Uploaded
deepakjadmin
parents:
diff changeset
12 4.1032 -10.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
73ae111cf86f Uploaded
deepakjadmin
parents:
diff changeset
13 4.1003 -11.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
73ae111cf86f Uploaded
deepakjadmin
parents:
diff changeset
14 5.1435 -9.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
73ae111cf86f Uploaded
deepakjadmin
parents:
diff changeset
15 3.3912 -9.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
73ae111cf86f Uploaded
deepakjadmin
parents:
diff changeset
16 1.9635 -10.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
73ae111cf86f Uploaded
deepakjadmin
parents:
diff changeset
17 1.9653 -11.8302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
73ae111cf86f Uploaded
deepakjadmin
parents:
diff changeset
18 3.3932 -12.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
73ae111cf86f Uploaded
deepakjadmin
parents:
diff changeset
19 1 4 1 0 0 0 0
73ae111cf86f Uploaded
deepakjadmin
parents:
diff changeset
20 2 3 1 0 0 0 0
73ae111cf86f Uploaded
deepakjadmin
parents:
diff changeset
21 3 9 1 0 0 0 0
73ae111cf86f Uploaded
deepakjadmin
parents:
diff changeset
22 5 6 2 0 0 0 0
73ae111cf86f Uploaded
deepakjadmin
parents:
diff changeset
23 7 8 1 0 0 0 0
73ae111cf86f Uploaded
deepakjadmin
parents:
diff changeset
24 9 5 1 0 0 0 0
73ae111cf86f Uploaded
deepakjadmin
parents:
diff changeset
25 8 4 1 0 0 0 0
73ae111cf86f Uploaded
deepakjadmin
parents:
diff changeset
26 7 10 1 0 0 0 0
73ae111cf86f Uploaded
deepakjadmin
parents:
diff changeset
27 8 9 2 0 0 0 0
73ae111cf86f Uploaded
deepakjadmin
parents:
diff changeset
28 4 11 2 0 0 0 0
73ae111cf86f Uploaded
deepakjadmin
parents:
diff changeset
29 1 12 1 0 0 0 0
73ae111cf86f Uploaded
deepakjadmin
parents:
diff changeset
30 1 2 1 0 0 0 0
73ae111cf86f Uploaded
deepakjadmin
parents:
diff changeset
31 2 13 2 0 0 0 0
73ae111cf86f Uploaded
deepakjadmin
parents:
diff changeset
32 6 7 1 0 0 0 0
73ae111cf86f Uploaded
deepakjadmin
parents:
diff changeset
33 3 14 1 0 0 0 0
73ae111cf86f Uploaded
deepakjadmin
parents:
diff changeset
34 M END