ATOM 30
1 C8x C 13.8600 -15.9600
2 C8x C 13.8600 -17.3600
3 C8x C 15.0724 -18.0600
4 C8y C 16.2849 -17.3600
5 C8y C 16.2849 -15.9600
6 C8x C 15.0724 -15.2600
7 S2x S 17.4973 -18.0600
8 C8y C 18.7097 -17.3600
9 C8y C 18.7097 -15.9600
10 C8y C 17.4973 -15.2600
11 C8y C 19.9222 -18.0600
12 C8x C 21.1346 -17.3600
13 C8x C 21.1346 -15.9600
14 C8y C 19.9222 -15.2600
15 C1b C 19.9222 -19.4597
16 O1a O 21.1554 -20.1720
17 O5x O 17.4973 -13.8600
18 N1b N 19.9222 -13.8603
19 C1b C 21.1554 -13.1480
20 C1b C 22.3615 -13.8441
21 N1c N 23.5433 -13.1616
22 C1b C 24.7376 -13.8510
23 C1a C 25.9254 -13.1651
24 C1b C 23.5433 -11.7616
25 C1a C 24.7388 -11.0712
26 S4a S 28.2800 -17.0100
27 O1d O 28.2800 -15.6100
28 O1d O 28.2800 -18.4100
29 C1a C 29.6800 -17.0100
30 O1d O 26.8800 -17.0100
BOND 31
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 8 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 9 14 2
17 11 15 1
18 15 16 1
19 10 17 2
20 14 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 21 24 1
27 24 25 1
28 26 27 2
29 26 28 2
30 26 29 1
31 26 30 1
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