ATOM 13
1 C2y C 26.8394 -18.8066
2 C5x C 25.6264 -18.1128
3 C1b C 28.0464 -18.1128
4 C2x C 26.8394 -20.2120
5 C2x C 24.4079 -18.8066
6 O5x O 25.6264 -16.7076
7 C2b C 29.2592 -18.8009
8 C5x C 25.6264 -20.9175
9 C2x C 24.4079 -20.2120
10 C2c C 30.4605 -18.1071
11 O5x O 25.6264 -22.3170
12 C1a C 31.6733 -18.7951
13 C1a C 30.4605 -16.7017
BOND 13
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 1
7 4 8 1
8 5 9 2
9 7 10 2
10 8 11 2
11 10 12 1
12 10 13 1
13 8 9 1
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