ATOM 20
1 C8y C 29.4897 -14.3323
2 C8y C 29.4550 -12.9233
3 C8x C 28.2903 -15.0426
4 C8x C 28.2396 -12.2432
5 C6a C 30.7134 -12.1630
6 C8x C 27.0352 -14.3713
7 C8x C 27.0268 -12.9690
8 O6a O 31.9377 -12.8452
9 O6a O 30.7552 -10.7649
10 C7a C 30.6824 -15.0500
11 O7a O 31.8949 -14.3500
12 C1b C 33.1073 -15.0500
13 C1c C 34.3197 -14.3500
14 C1b C 35.5322 -15.0500
15 C1b C 36.7446 -14.3500
16 C1b C 37.9570 -15.0500
17 C1a C 39.1695 -14.3500
18 O6a O 30.6698 -16.4500
19 C1b C 34.3197 -12.9500
20 C1a C 35.5173 -12.2585
BOND 20
1 1 2 1
2 1 3 2
3 2 4 2
4 2 5 1
5 3 6 1
6 4 7 1
7 5 8 1
8 5 9 2
9 6 7 2
10 1 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 10 18 2
19 13 19 1
20 19 20 1
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