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 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82
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RDKit 2D
38 39 0 0 0 0 0 0 0 0999 V2000
3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.5000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.2500 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.7500 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.5000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.5000 12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.0000 12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.7500 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.2500 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.0000 12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.0000 15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.2500 16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.7500 16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.0000 15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.5000 15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 1 0
11 13 2 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 1 0
16 18 2 0
18 19 1 0
19 20 2 0
20 21 1 0
21 22 2 0
22 23 1 0
22 24 1 0
24 25 2 0
25 26 1 0
26 27 2 0
27 28 1 0
27 29 1 0
29 30 2 0
30 31 1 0
31 32 2 0
32 33 1 0
32 34 1 0
34 35 1 0
35 36 1 0
36 37 1 0
37 38 1 0
8 2 1 0
37 31 1 0
M END000
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