ATOM 12
1 C1b C 16.7484 -17.6728
2 C1y C 17.9537 -16.9758
3 O1a O 15.5431 -16.9758
4 C8y C 19.3517 -16.5474
5 C8x C 20.4988 -17.2466
6 C8y C 19.2875 -15.1430
7 N5x N 21.7031 -16.5474
8 C5x C 17.9478 -14.7016
9 C8x C 20.4988 -14.4439
10 C1x C 17.1192 -15.8480
11 C8x C 21.7031 -15.1489
12 O5x O 17.5135 -13.3678
BOND 13
1 1 2 1
2 1 3 1
3 4 5 1
4 4 6 2
5 4 2 1
6 5 7 2
7 6 8 1
8 6 9 1
9 2 10 1
10 7 11 1
11 8 12 2
12 8 10 1
13 9 11 2
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