 ATOM 15
1 C8x C 16.4500 -16.8700
2 C8y C 16.4500 -18.2700
3 C8y C 17.6624 -18.9700
4 C8y C 18.8749 -18.2700
5 C8x C 18.8749 -16.8700
6 C8y C 17.6624 -16.1700
7 C6a C 17.6624 -14.7702
8 O1a O 17.6624 -20.3698
9 C6a C 15.2376 -18.9700
10 O2a O 20.1060 -18.9810
11 O6a O 14.0421 -18.2796
12 O6a O 16.4332 -14.0603
13 O6a O 18.8580 -14.0798
14 O6a O 15.2375 -20.3698
15 C1a C 21.3112 -18.2853
BOND 15
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 6 7 1
8 3 8 1
9 2 9 1
10 4 10 1
11 9 11 2
12 7 12 2
13 7 13 1
14 9 14 1
15 10 15 1
|