ATOM 21
1 C8x C 30.0551 -16.2621
2 C8y C 30.0551 -17.6645
3 C8x C 31.2697 -18.3658
4 C8y C 32.4843 -17.6645
5 C8y C 32.4843 -16.2621
6 C8x C 31.2697 -15.5609
7 N5x N 33.8181 -18.0979
8 C8y C 34.6425 -16.9633
9 N4x N 33.8181 -15.8287
10 N1b N 36.0156 -16.9633
11 C5a C 28.8406 -18.3658
12 C8y C 27.6430 -17.6742
13 O5a O 28.8405 -19.7680
14 C7a C 36.7168 -15.7488
15 O7a O 38.1191 -15.7488
16 O6a O 36.0252 -14.5512
17 C1a C 38.8108 -14.5511
18 S2x S 27.6701 -16.2646
19 C8x C 26.3403 -15.7995
20 C8x C 25.4870 -16.9205
21 C8x C 26.2895 -18.0784
BOND 23
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 5 9 1
11 8 10 1
12 2 11 1
13 11 12 1
14 11 13 2
15 10 14 1
16 14 15 1
17 14 16 2
18 15 17 1
19 12 18 1
20 18 19 1
21 19 20 2
22 20 21 1
23 12 21 2
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