ATOM 25
1 C8x C 22.7639 -13.1070
2 C8x C 22.7639 -11.7075
3 C8x C 21.5511 -11.0078
4 C8y C 20.3382 -11.7075
5 C8y C 20.3382 -13.1070
6 C8x C 21.5511 -13.8067
7 S2x S 19.1253 -11.0078
8 C8y C 17.9125 -11.7075
9 C8y C 17.9125 -13.1070
10 C8y C 19.1253 -13.8067
11 C8y C 16.6997 -11.0078
12 C8x C 15.4867 -11.7075
13 C8x C 15.4867 -13.1070
14 C8y C 16.6997 -13.8067
15 O5x O 19.1253 -15.2061
16 C1b C 16.6997 -9.6083
17 O1a O 15.4867 -8.9086
18 N1b N 16.6997 -15.2061
19 C1b C 15.4867 -15.9059
20 C1b C 14.2739 -15.2061
21 N1c N 13.0611 -15.9059
22 C1b C 11.8482 -15.2061
23 C1b C 13.0611 -17.3053
24 C1a C 10.6354 -15.9059
25 C1a C 11.8482 -18.0050
BOND 27
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 1
9 8 9 2
10 9 10 1
11 5 10 1
12 8 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 9 14 1
17 10 15 2
18 11 16 1
19 16 17 1
20 14 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 21 23 1
26 22 24 1
27 23 25 1
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