ATOM 21
1 C8x C 15.1200 -17.8500
2 C8x C 15.1200 -19.2500
3 C8x C 16.3324 -19.9500
4 C8y C 17.5449 -19.2500
5 C8y C 17.5449 -17.8500
6 C8x C 16.3324 -17.1500
7 N5x N 18.7573 -19.9500
8 N5x N 19.9697 -19.2500
9 N4y N 19.9697 -17.8500
10 C8y C 18.7573 -17.1500
11 O5x O 18.7573 -15.7500
12 C1b C 21.1624 -17.1500
13 S2a S 22.3749 -17.8500
14 P1a P 23.7749 -17.8500
15 O2b O 25.1749 -17.8500
16 S0 S 23.7749 -16.4502
17 O2b O 23.7749 -19.2498
18 C1b C 25.8809 -19.0733
19 C1a C 27.2996 -19.0739
20 C1b C 25.0061 -19.9608
21 C1a C 25.1919 -21.3354
BOND 22
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 1
11 5 10 1
12 10 11 2
13 9 12 1
14 12 13 1
15 13 14 1
16 14 15 1
17 14 16 2
18 14 17 1
19 15 18 1
20 18 19 1
21 17 20 1
22 20 21 1
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