ATOM 16
1 C8y C 28.6255 -20.2256
2 C8y C 28.6138 -18.8288
3 C8x C 27.4213 -20.9447
4 C2x C 29.8411 -20.9213
5 C8x C 27.3862 -18.1391
6 O2x O 29.8237 -18.1214
7 C8y C 26.1939 -20.2550
8 C2x C 31.0394 -20.2139
9 C8y C 26.1763 -18.8522
10 C1z C 31.0336 -18.8111
11 O2a O 24.9840 -20.9798
12 O2a O 24.9547 -18.1625
13 C1a C 32.2435 -18.1040
14 C1a C 32.1382 -19.6237
15 C1a C 23.7624 -20.2958
16 C1a C 23.7507 -18.8813
BOND 17
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 4 8 2
8 5 9 2
9 6 10 1
10 7 11 1
11 9 12 1
12 10 13 1
13 10 14 1
14 11 15 1
15 12 16 1
16 7 9 1
17 8 10 1
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