ATOM 20
1 C1y C 24.8211 -17.5681
2 C1y C 25.9847 -18.2346
3 C1z C 23.6637 -18.2467
4 C1x C 24.8790 -16.2168
5 C1y C 27.1516 -17.5559
6 C1x C 25.9473 -19.5739
7 C2y C 23.6637 -19.5800
8 C1x C 22.5123 -17.5863
9 C1a C 23.6368 -16.6713
10 C1x C 25.9785 -15.5381
11 C1z C 27.1602 -16.2047
12 C1x C 24.8332 -20.2465
13 C2x C 22.5123 -20.2525
14 C1x C 21.3672 -18.2467
15 C1a C 27.1516 -14.7488
16 C5x C 21.3672 -19.5800
17 O5x O 20.2217 -20.2282
18 C1x C 29.4864 -17.5873
19 C1x C 29.4924 -16.0987
20 C1x C 28.2957 -15.4784
BOND 23
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 5 11 1
11 6 12 1
12 7 13 2
13 8 14 1
14 11 15 1
15 13 16 1
16 16 17 2
17 7 12 1
18 10 11 1
19 14 16 1
20 5 18 1
21 18 19 1
22 19 20 1
23 11 20 1
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