ATOM 13
1 C8y C 19.8227 -15.9988
2 C8x C 19.8354 -17.3892
3 C8x C 21.0326 -15.2803
4 C8x C 21.0595 -18.0841
5 C8x C 22.2567 -15.9753
6 C8x C 22.2710 -17.3886
7 C1b C 18.6217 -15.3017
8 C5a C 17.4112 -16.0006
9 C5a C 16.2008 -15.3017
10 S2a S 14.9904 -16.0006
11 O5a O 17.4112 -17.3981
12 O5a O 16.2008 -13.9040
13 R R 13.5904 -16.0006
BOND 13
1 1 2 2
2 1 3 1
3 2 4 1
4 3 5 2
5 4 6 2
6 5 6 1
7 1 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 8 11 2
12 9 12 2
13 10 13 1
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