ATOM 16
1 C1a C 12.9500 -17.4300
2 C1b C 14.1624 -16.7300
3 C1b C 15.3749 -17.4300
4 C1b C 16.5873 -16.7300
5 O7a O 17.7997 -17.4300
6 C7a C 19.0122 -16.7300
7 C1b C 20.2246 -17.4300
8 C1b C 21.4370 -16.7300
9 C7a C 22.6495 -17.4300
10 O7a O 23.8619 -16.7300
11 C1b C 25.0744 -17.4300
12 C1b C 26.2868 -16.7300
13 C1b C 27.4992 -17.4300
14 O6a O 19.0122 -15.3303
15 O6a O 22.6495 -18.8297
16 C1a C 28.7197 -16.7253
BOND 15
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 6 14 2
14 9 15 2
15 13 16 1
|