ATOM 16
1 C1y C 22.5618 -15.4048
2 O2x O 23.7091 -14.5721
3 C1y C 22.9946 -16.7686
4 C1b C 21.2046 -14.9589
5 C1z C 24.8698 -15.4048
6 C1y C 24.4239 -16.7686
7 O1a O 22.1487 -17.9160
8 O2b O 20.1425 -15.9096
9 C1b C 25.6172 -14.4059
10 O1a O 26.0652 -15.7678
11 O1a O 25.2632 -17.9226
12 P1b P 18.7130 -15.9031
13 O1a O 26.9438 -14.5479
14 O1c O 17.2904 -15.9031
15 O1c O 18.7197 -14.4103
16 O1c O 18.7130 -17.3324
BOND 16
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 3 6 1
6 3 7 1 #Up
7 4 8 1
8 5 9 1
9 5 10 1
10 6 11 1 #Up
11 8 12 1
12 9 13 1
13 12 14 1
14 12 15 1
15 12 16 2
16 5 6 1
|