ATOM 12
1 C8x C 23.4240 -18.1082
2 C8x C 23.4240 -19.5093
3 C8x C 24.6403 -20.2098
4 C8x C 25.8495 -19.5093
5 C8x C 25.8495 -18.1082
6 C8y C 24.6403 -17.4077
7 C1c C 24.6422 -16.0066
8 C1b C 23.4311 -15.3061
9 C1b C 22.2211 -16.0066
10 C1b C 21.0111 -15.3061
11 C1a C 19.8011 -16.0066
12 O1a O 25.8563 -15.3073
BOND 12
1 6 1 1
2 6 7 1
3 1 2 2
4 7 8 1
5 2 3 1
6 8 9 1
7 3 4 2
8 9 10 1
9 4 5 1
10 10 11 1
11 5 6 2
12 7 12 1
|