ATOM 15
1 C8y C 24.2777 -14.9658
2 C8y C 24.3126 -16.3631
3 O2x O 25.5053 -14.3053
4 C8x C 23.0734 -14.2409
5 C8y C 25.4351 -17.0938
6 C8y C 23.0150 -17.0530
7 C8x C 26.6980 -15.0302
8 C8y C 21.8458 -14.9133
9 C8y C 26.6629 -16.4216
10 O5x O 25.4002 -18.4909
11 C8x C 21.8166 -16.3221
12 O1a O 23.0557 -18.4501
13 O1a O 20.6473 -14.1943
14 C1b C 27.8613 -17.1581
15 C1a C 29.0889 -16.4916
BOND 16
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 2
8 5 9 1
9 5 10 2
10 6 11 2
11 6 12 1
12 8 13 1
13 9 14 1
14 14 15 1
15 7 9 2
16 8 11 1
|