ATOM 18
1 C8y C 29.9901 -22.1124
2 C8y C 29.9542 -23.5166
3 C8x C 28.7625 -21.4433
4 O2x O 31.3154 -21.6488
5 C8x C 28.8310 -24.2389
6 O2x O 31.3633 -23.9202
7 C8y C 27.5639 -22.1757
8 C1x C 32.1660 -22.7653
9 C8x C 27.6035 -23.5698
10 C2b C 26.3363 -21.5066
11 C2b C 26.3020 -20.1074
12 C5a C 25.0795 -19.4411
13 N1b N 25.0397 -18.0457
14 O5a O 23.8888 -20.1712
15 C1b C 26.2282 -17.2873
16 C1c C 26.2281 -15.8850
17 C1a C 27.3367 -15.1327
18 C1a C 24.9493 -15.1833
BOND 19
1 5 9 1
2 7 10 1
3 6 8 1
4 7 9 2
5 1 2 1
6 1 3 2
7 1 4 1
8 2 5 2
9 2 6 1
10 3 7 1
11 4 8 1
12 11 12 1
13 12 13 1
14 12 14 2
15 13 15 1
16 15 16 1
17 16 17 1
18 16 18 1
19 11 10 2
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