ATOM 18
1 C1b C 29.2546 -15.0200
2 C8y C 28.1032 -15.7062
3 C8y C 26.9403 -15.0257
4 C8x C 28.0974 -17.0494
5 N5x N 25.7714 -15.6829
6 N1a N 26.9344 -13.6709
7 N5x N 26.9286 -17.7123
8 C8y C 25.7655 -17.0320
9 C1a C 24.5910 -17.7006
10 N5y N 30.4935 -15.7122 #+
11 C8y C 30.6565 -17.0733
12 C8y C 32.0014 -17.3389
13 S2x S 32.6696 -16.1419
14 C8x C 31.7376 -15.1365
15 C1a C 29.6284 -18.0264
16 C1b C 32.5955 -18.6223
17 C4a C 34.0139 -18.7505
18 O4a O 34.8177 -17.6095
BOND 19
1 1 2 1
2 2 3 2
3 2 4 1
4 3 5 1
5 3 6 1
6 4 7 2
7 5 8 2
8 8 9 1
9 7 8 1
10 1 10 1
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 1
15 10 14 2
16 11 15 1
17 12 16 1
18 16 17 1
19 17 18 2
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