ATOM 15
1 C1y C 20.4674 -16.5466
2 O2x O 19.3177 -15.7163
3 C1y C 20.0459 -17.8497
4 C1y C 18.2000 -16.5274
5 C1y C 18.6407 -17.8497
6 O1a O 20.8698 -18.8188
7 C1b C 17.4400 -15.6844
8 O1a O 17.8423 -18.8316
9 O1a O 15.8686 -15.6844
10 N4y N 21.8563 -16.0920
11 C8x C 23.0355 -16.9448
12 N5x N 24.2110 -16.0869
13 C8x C 23.7582 -14.7038
14 C8y C 22.3030 -14.7070
15 N1a N 21.4223 -13.5003
BOND 16
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 3 6 1 #Down
6 4 7 1 #Up
7 5 8 1 #Down
8 7 9 1
9 4 5 1
10 1 10 1 #Up
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 10 14 1
16 14 15 1
|