ATOM 16
1 C1x C 30.6097 -25.6450
2 C1x C 30.6097 -26.9930
3 C2y C 31.7771 -27.6671
4 C1y C 32.9446 -26.9930
5 C1z C 32.9446 -25.6450
6 C1x C 31.7771 -24.9709
7 C1x C 34.1120 -27.6671
8 C8y C 35.2794 -26.9930
9 C8y C 35.2794 -25.6450
10 C1x C 34.1120 -24.9709
11 C8y C 37.6144 -26.9930
12 C8x C 37.6144 -25.6450
13 O2x O 36.4469 -24.9709
14 C1a C 38.5676 -27.9462
15 C1a C 32.9446 -24.2969
16 C2a C 31.7771 -29.0151
BOND 18
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 1
12 8 11 1
13 11 12 2
14 12 13 1
15 9 13 1
16 11 14 1
17 5 15 1 #Up
18 3 16 2
|