ATOM 20
1 C8y C 23.5829 -15.2762
2 C8y C 24.8977 -15.9248
3 C8y C 22.4783 -16.0242
4 C2x C 23.6004 -13.8853
5 C8y C 24.9505 -17.3216
6 O2x O 26.0783 -15.1884
7 C8x C 22.4668 -17.4209
8 O2x O 21.1752 -15.3755
9 C2x C 22.3673 -13.2365
10 C8y C 23.7699 -18.0695
11 C8y C 26.1776 -17.9702
12 C8y C 27.3055 -15.8371
13 C1z C 21.1869 -13.9788
14 O1a O 23.8283 -19.4663
15 C8x C 27.2881 -17.2338
16 O5x O 26.1602 -19.3670
17 C1b C 28.4919 -15.0950
18 C1a C 19.9537 -13.3300
19 C1a C 19.9654 -14.8494
20 O1a O 29.7307 -15.7495
BOND 22
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 5 11 1
11 6 12 1
12 8 13 1
13 10 14 1
14 11 15 1
15 11 16 2
16 12 17 1
17 13 18 1
18 13 19 1
19 17 20 1
20 7 10 2
21 9 13 1
22 12 15 2
|