ATOM 13
1 C8x C 17.2200 -16.6600
2 C8y C 17.2200 -15.2600
3 C8x C 18.4100 -14.5600
4 C8x C 19.6700 -15.2600
5 C8y C 19.6700 -16.6600
6 C8x C 18.4100 -17.3600
7 N1a N 16.0300 -14.5600
8 C7a C 20.8600 -17.3600
9 O7a O 22.0500 -16.6600
10 O6a O 20.8600 -18.7600
11 C1b C 23.2400 -17.3600
12 C1b C 24.4581 -16.6699
13 C1a C 25.6395 -17.3650
BOND 13
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 2 7 1
8 5 8 1
9 8 9 1
10 8 10 2
11 9 11 1
12 11 12 1
13 12 13 1
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