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
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
|
Generated by WebMolKit
29 32 0 0 1 0 0 0 0 0999 V2000
31.7944 -12.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
31.8467 -11.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
33.1711 -10.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
33.2236 -9.2101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
31.9514 -8.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
30.6271 -9.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
29.3549 -8.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
30.5746 -10.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
29.2502 -11.3228 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
28.0367 -10.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
28.0367 -8.9410 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
26.8231 -11.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.3966 -10.8593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.2818 -11.8629 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
25.0847 -9.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
27.2867 -12.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
26.5367 -14.0484 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
27.2867 -15.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
28.7867 -15.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
29.5367 -14.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
31.0367 -14.0484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
31.7867 -15.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
31.0367 -16.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
31.7867 -17.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
33.2867 -17.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
34.0367 -16.6464 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
33.2867 -15.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
28.7867 -12.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
34.4432 -11.5040 0.0000 O 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
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
6 8 2 0 0 0 0
8 2 1 1 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
10 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
13 15 2 0 0 0 0
12 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 22 1 0 0 0 0
20 28 2 0 0 0 0
28 9 1 0 0 0 0
28 16 1 0 0 0 0
3 29 1 0 0 0 0
M END
|
