blob: a63ee846fc7393a45068f94b29dda1959f2cc350 (
plain)
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
|
9,10-dihydroxyphenanthrene
-ISIS- 2D
Used JOELib chemistry kernel (expert systems) ID is 715333816
16 18 0 0 0 0 0 0 0 0 1 V2000
30.1198 -12.7631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
23.0621 -16.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.0621 -24.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
30.1198 -29.0622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.0043 -29.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0043 -37.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9466 -41.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8889 -37.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8889 -29.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9466 -24.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9466 -16.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8889 -12.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8889 -4.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9466 -0.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0043 -4.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0043 -12.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
2 16 1 0 0 0 0
3 4 1 0 0 0 0
3 5 1 0 0 0 0
5 6 2 0 0 0 0
5 10 1 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
11 16 1 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
M END
|