ATOM 28
1 C8y C 24.4334 -12.5235
2 C8y C 24.4334 -13.8992
3 C1y C 25.6247 -14.5870
4 N1y N 26.8161 -13.8992
5 C1x C 26.8161 -12.5235
6 C1x C 25.6247 -11.8357
7 C8x C 23.2420 -11.8357
8 C8y C 22.0506 -12.5235
9 C8y C 22.0506 -13.8992
10 C8y C 23.2420 -14.5870
11 C1x C 26.2071 -15.9158
12 C1x C 25.5193 -17.1072
13 C1a C 28.0259 -14.5978
14 O1a O 20.7218 -14.2552
15 C8y C 22.9669 -16.3066
16 C8y C 23.9396 -17.2793
17 C8y C 21.6381 -16.6626
18 C8y C 21.2821 -17.9914
19 C8y C 22.2548 -18.9642
20 C8x C 23.5836 -18.6081
21 O2a O 20.4468 -15.9748
22 O2a O 21.8913 -20.3219
23 O2a O 19.9503 -18.3484
24 C1a C 19.5943 -19.6772
25 C1a C 19.1180 -16.3308
26 O2a O 20.8409 -11.8249
27 C1a C 20.8409 -10.4492
28 C1a C 22.8812 -21.3118
BOND 31
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 2
8 7 8 1
9 8 9 2
10 9 10 1
11 10 2 2
12 11 3 1
13 11 12 1
14 4 13 1
15 9 14 1
16 10 15 1
17 15 16 2
18 16 12 1
19 15 17 1
20 17 18 2
21 18 19 1
22 19 20 2
23 20 16 1
24 17 21 1
25 19 22 1
26 18 23 1
27 23 24 1
28 21 25 1
29 8 26 1
30 26 27 1
31 22 28 1
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