ATOM 27
1 C8y C 28.5487 -17.3077
2 C8y C 28.5429 -18.7122
3 O2x O 29.7668 -16.6199
4 C8x C 27.3365 -16.6142
5 C8y C 27.3365 -19.4175
6 C8y C 29.7552 -19.4233
7 C8y C 30.9792 -17.3193
8 C8y C 26.1300 -17.3077
9 C8y C 26.1242 -18.7122
10 O1a O 27.3424 -20.8164
11 C8y C 31.0433 -18.7239
12 O5x O 29.7494 -20.8221
13 C8y C 32.1973 -16.6258
14 O2x O 24.7954 -16.8706
15 C1x C 24.7895 -19.1436
16 O1a O 32.1740 -19.4233
17 C8x C 32.1973 -15.2328
18 C8x C 33.4038 -17.3367
19 C1y C 23.9677 -18.0013
20 C8y C 33.4155 -14.5333
21 C8x C 34.6219 -16.6432
22 C2c C 22.5748 -18.0013
23 C8y C 34.6277 -15.2387
24 O1a O 33.4212 -13.1288
25 C1a C 21.8754 -19.2019
26 C2a C 21.8811 -16.7889
27 O1a O 35.8342 -14.5393
BOND 30
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 2
8 5 9 2
9 5 10 1
10 6 11 1
11 6 12 2
12 7 13 1
13 8 14 1
14 9 15 1
15 11 16 1
16 13 17 1
17 13 18 2
18 14 19 1
19 17 20 2
20 18 21 1
21 19 22 1 #Either
22 20 23 1
23 20 24 1
24 22 25 1
25 22 26 2
26 23 27 1
27 7 11 2
28 8 9 1
29 15 19 1
30 21 23 2
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