ATOM 18
1 C1x C 27.7900 -19.4600
2 C1x C 27.7900 -20.8600
3 C1x C 28.9800 -21.5600
4 C1x C 30.2400 -20.8600
5 C1x C 30.2400 -19.4600
6 N1y N 28.9800 -18.7600
7 C5a C 28.9800 -17.3600
8 O5a O 27.7900 -16.6600
9 S2a S 30.1700 -16.6600
10 C1d C 31.3881 -17.3501
11 C8y C 32.5695 -16.6550
12 C1a C 32.4498 -18.4094
13 C1a C 30.0863 -18.4250
14 C8x C 33.7749 -17.3380
15 C8x C 34.9816 -16.6282
16 C8x C 34.9703 -15.2282
17 C8x C 33.7649 -14.5453
18 C8x C 32.5582 -15.2551
BOND 19
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 6 7 1
8 7 8 2
9 7 9 1
10 9 10 1
11 10 11 1
12 10 12 1
13 10 13 1
14 11 14 2
15 14 15 1
16 15 16 2
17 16 17 1
18 17 18 2
19 11 18 1
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