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
40
41
42
43
44
|
OpenBabel11010922422D
18 21 0 0 0 0 0 0 0 0999 V2000
-11.8500 -3.5250 0.0000 C 0 0 0 0 0
-10.8500 -3.5242 0.0000 C 0 0 0 0 0
-10.3493 -4.3898 0.0000 C 0 0 0 0 0
-10.8486 -5.2563 0.0000 C 0 0 0 0 0
-11.8486 -5.2571 0.0000 C 0 0 0 0 0
-12.3493 -4.3914 0.0000 C 0 0 0 0 0
-10.3507 -2.6578 0.0000 C 0 0 0 0 0
-9.3507 -2.6570 0.0000 C 0 0 0 0 0
-8.8500 -3.5226 0.0000 C 0 0 0 0 0
-9.3493 -4.3890 0.0000 C 0 0 0 0 0
-7.8500 -3.5218 0.0000 C 0 0 0 0 0
-7.3493 -4.3874 0.0000 C 0 0 0 0 0
-7.8486 -5.2539 0.0000 C 0 0 0 0 0
-8.8486 -5.2547 0.0000 C 0 0 0 0 0
-7.3507 -2.6554 0.0000 C 0 0 0 0 0
-6.3507 -2.6546 0.0000 C 0 0 0 0 0
-5.8500 -3.5202 0.0000 C 0 0 0 0 0
-6.3493 -4.3866 0.0000 C 0 0 0 0 0
1 2 1 0 0 0
6 1 1 0 0 0
2 3 1 0 0 0
2 7 1 0 0 0
3 4 1 0 0 0
10 3 1 0 0 0
4 5 1 0 0 0
5 6 1 0 0 0
7 8 1 0 0 0
8 9 1 0 0 0
9 10 1 0 0 0
9 11 1 0 0 0
14 10 1 0 0 0
11 12 1 0 0 0
11 15 1 0 0 0
12 13 1 0 0 0
18 12 1 0 0 0
13 14 1 0 0 0
15 16 1 0 0 0
16 17 1 0 0 0
17 18 1 0 0 0
M END
|
