ATOM 16
1 C1x C 17.9989 -15.5392
2 C1x C 17.9989 -16.8925
3 C1z C 19.1708 -17.5691
4 C1y C 20.3428 -16.8925
5 C1z C 20.3428 -15.5392
6 C1x C 19.1708 -14.8626
7 C1x C 21.5148 -17.5691
8 C2x C 22.6867 -16.8925
9 C2y C 22.6867 -15.5392
10 C1y C 21.5148 -14.8626
11 C1a C 20.3428 -14.1860
12 C1b C 21.5148 -13.5093
13 C1a C 23.8443 -14.8708
14 C1a C 18.0206 -19.2147
15 C1a C 19.6565 -19.2822
16 O1a O 22.7272 -12.8093
BOND 17
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 5 11 1 #Up
13 10 12 1 #Up
14 9 13 1
15 3 14 1
16 3 15 1
17 12 16 1
|