ATOM 19
1 C1x C 25.4406 -16.6676
2 C1x C 25.4523 -13.8835
3 C1y C 24.2325 -15.9579
4 C1z C 24.2383 -14.5687
5 C2y C 23.0430 -16.6617
6 C2x C 23.0430 -13.8778
7 C1a C 24.2266 -13.1797
8 C5x C 21.8362 -15.9579
9 C2a C 23.0488 -18.0506
10 C2x C 21.8362 -14.5687
11 O5x O 20.6350 -16.6617
12 C1y C 26.6475 -14.5745
13 C1y C 26.6514 -15.9694
14 C1z C 27.9811 -16.3999
15 C7x C 28.7980 -15.2693
16 O7x O 27.9745 -14.1435
17 O6a O 30.2292 -15.2651
18 C1a C 29.1215 -17.1693
19 O1a O 27.9645 -17.9643
BOND 21
1 5 8 1
2 5 9 2
3 6 10 2
4 8 11 2
5 3 4 1
6 8 10 1
7 13 1 1
8 12 2 1
9 1 3 1
10 2 4 1
11 12 13 1
12 13 14 1
13 14 15 1
14 15 16 1
15 16 12 1
16 3 5 1
17 15 17 2
18 4 6 1
19 14 18 1 #Up
20 4 7 1 #Up
21 14 19 1 #Down
|