ATOM 16
1 C8y C 15.0406 -16.2325
2 C8x C 16.2464 -15.5040
3 C8y C 15.0640 -17.6392
4 O2a O 13.8081 -15.5496
5 C8y C 17.4708 -16.1850
6 C8x C 16.3064 -18.3162
7 O1a O 13.8631 -18.3649
8 C1a C 12.6023 -16.2783
9 C8x C 17.5041 -17.5856
10 C2b C 18.6638 -15.4574
11 C2b C 19.8952 -16.1274
12 C1b C 21.0961 -15.4018
13 O7a O 22.3058 -16.0682
14 C7a C 23.4782 -15.3597
15 C1a C 24.7105 -16.0384
16 O6a O 23.4502 -13.9767
BOND 16
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 2
6 3 7 1
7 4 8 1
8 5 9 2
9 5 10 1
10 10 11 2
11 11 12 1
12 6 9 1
13 12 13 1
14 13 14 1
15 14 15 1
16 14 16 2
|