ATOM 22
1 C8x C 25.7265 -22.0879
2 C8y C 25.7265 -23.4874
3 C8x C 26.9387 -24.1871
4 C8y C 28.1505 -23.4874
5 C8y C 28.1505 -22.0879
6 C8x C 26.9387 -21.3883
7 C1y C 29.3624 -24.1871
8 C1y C 30.5744 -23.4874
9 C1z C 30.5744 -22.0879
10 O2x O 29.3624 -21.3883
11 C1a C 31.2776 -20.8752
12 C1a C 31.9773 -22.0879
13 O1a O 31.7889 -24.1886
14 N1c N 29.3623 -25.5865
15 S4a S 28.1525 -26.2850
16 C1a C 30.5764 -26.2874
17 O3c O 27.4517 -25.0721
18 O3c O 28.8509 -27.4973
19 C1b C 26.9398 -26.9847
20 C1a C 25.7271 -26.2841
21 C3b C 24.5148 -24.1870
22 N3a N 23.3005 -24.8854
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 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 9 12 1
14 8 13 1 #Down
15 7 14 1 #Up
16 14 15 1
17 14 16 1
18 15 17 2
19 15 18 2
20 15 19 1
21 19 20 1
22 2 21 1
23 21 22 3
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