ATOM 20
1 C8y C 22.7877 -16.4622
2 C8y C 22.7936 -15.0568
3 C8x C 24.0122 -17.1559
4 O2x O 21.4525 -16.8878
5 C8x C 24.0122 -14.3514
6 O2x O 21.4583 -14.6255
7 C8y C 25.2249 -16.4622
8 C1x C 20.6361 -15.7508
9 C8x C 25.2249 -15.0568
10 C1b C 26.4261 -17.1502
11 C1b C 27.6389 -16.4505
12 C1y C 28.8516 -17.1443
13 C1x C 28.8516 -18.5437
14 O7x O 30.0585 -16.4446
15 C2y C 30.0585 -19.2434
16 C7x C 31.2714 -17.1385
17 C2x C 31.2714 -18.5379
18 O2a O 30.0645 -20.6485
19 O6a O 32.4842 -16.4446
20 C1a C 31.2772 -21.3424
BOND 22
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 4 8 1
8 5 9 2
9 7 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 12 14 1
14 13 15 1
15 14 16 1
16 15 17 2
17 15 18 1
18 16 19 2
19 18 20 1
20 6 8 1
21 7 9 1
22 16 17 1
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