ATOM 12
1 C8y C 27.8096 -16.0852
2 C1b C 26.6207 -15.4034
3 C1c C 25.4261 -16.0852
4 C6a C 24.2431 -15.4034
5 N1b N 25.4261 -17.4605
6 O6a O 23.0485 -16.0852
7 O6a O 24.2431 -14.0223
8 C1a C 24.2186 -18.1576
9 N5x N 28.2309 -17.4288
10 C8x C 29.6433 -17.4412
11 N4x N 30.0915 -16.1018
12 C8x C 28.9562 -15.2616
BOND 12
1 1 2 1
2 2 3 1
3 3 4 1
4 3 5 1 #Down
5 4 6 1
6 4 7 2
7 5 8 1
8 1 9 1
9 9 10 2
10 10 11 1
11 11 12 1
12 1 12 2
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