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
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RDKit 2D
37 36 0 0 0 0 0 0 0 0999 V2000
-6.7500 -3.8971 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
-4.5000 -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
-2.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2500 -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
0.0000 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
2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5000 2.5981 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
6.7500 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
9.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2500 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7500 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.5000 10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.5000 12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.0000 12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.7500 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.2500 14.2894 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
22.5000 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
24.0000 18.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.7500 19.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.5000 20.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
26.2500 22.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
27.7500 22.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
28.5000 23.3827 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 6
4 6 1 0
6 7 1 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 3 0
13 14 1 0
14 15 3 0
15 16 1 0
16 17 2 0
17 18 1 0
18 19 1 0
19 20 1 0
20 21 1 0
21 22 1 0
22 23 1 0
23 24 1 6
23 25 1 0
25 26 1 0
26 27 1 0
27 28 2 0
28 29 1 0
29 30 2 0
30 31 1 0
31 32 3 0
32 33 1 0
33 34 3 0
34 35 1 0
35 36 2 0
36 37 1 0
M END000
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