ATOM 17
1 C2y C 30.8363 -27.3985
2 C5x C 30.8363 -28.8264
3 C1x C 32.0728 -29.5403
4 C2y C 33.3093 -28.8264
5 C5x C 33.3093 -27.3985
6 C1x C 32.0728 -26.6846
7 C2x C 29.5997 -26.6846
8 C1x C 28.3631 -27.3985
9 C1x C 28.3631 -28.8264
10 C1y C 29.5997 -29.5403
11 C2c C 34.5649 -29.5515
12 C1a C 35.7941 -28.8420
13 C1a C 34.5646 -30.9680
14 O5x O 34.5649 -26.6734
15 O5x O 30.8363 -30.2542
16 C1a C 29.5997 -30.9679
17 C1a C 30.8363 -25.9985
BOND 17
1 2 3 1
2 3 4 1
3 4 5 1
4 5 6 1
5 1 6 1
6 1 7 2
7 7 8 1
8 8 9 1
9 9 10 1
10 2 10 1
11 4 11 2
12 11 12 1
13 11 13 1
14 5 14 2
15 2 15 2
16 10 16 1 #Up
17 1 17 1
|