ATOM 29
1 C8y C 24.3894 -22.3370
2 C8x C 24.3894 -23.7390
3 C8y C 25.6004 -24.4436
4 C8y C 25.6004 -21.6395
5 C8y C 26.8113 -22.3370
6 C8y C 26.8054 -23.7390
7 C8y C 28.0177 -24.4487
8 C8x C 29.2358 -23.7493
9 C8y C 29.2419 -22.3474
10 O2x O 28.0297 -21.6446
11 C8y C 30.4486 -21.6395
12 C8x C 31.6686 -22.3247
13 C8x C 32.8055 -21.6167
14 C8x C 32.8624 -20.2167
15 C8x C 31.6424 -19.5245
16 C8x C 30.4356 -20.2394
17 O5x O 28.0038 -25.8458
18 O1a O 25.5873 -25.8458
19 O1a O 23.1744 -21.6388
20 C1b C 25.6021 -20.2374
21 C2b C 26.8183 -19.5343
22 C2c C 26.8200 -18.1323
23 C1b C 28.0361 -17.4363
24 C1a C 25.6057 -17.4333
25 C1b C 28.0413 -16.0413
26 C2b C 29.2521 -15.3483
27 C2c C 29.2575 -13.9533
28 C1a C 30.4682 -13.2603
29 C1a C 28.0520 -13.2512
BOND 31
1 15 16 2
2 16 11 1
3 5 6 2
4 7 17 2
5 6 7 1
6 3 18 1
7 7 8 1
8 8 9 2
9 9 10 1
10 10 5 1
11 1 19 1
12 9 11 1
13 4 20 1
14 1 2 1
15 20 21 1
16 2 3 2
17 21 22 2
18 3 6 1
19 22 23 1
20 5 4 1
21 22 24 1
22 4 1 2
23 23 25 1
24 11 12 2
25 25 26 1
26 12 13 1
27 26 27 2
28 13 14 2
29 27 28 1
30 14 15 1
31 27 29 1
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