ATOM 19
1 C8x C 21.8498 -16.6559
2 C8x C 21.8498 -18.0513
3 C8y C 23.0611 -18.7489
4 C8x C 23.0611 -15.9583
5 C8y C 24.2654 -16.6559
6 N4y N 24.2594 -18.0513
7 C1x C 25.4649 -18.7540
8 C1y C 26.6762 -18.0616
9 C1x C 26.6821 -16.6663
10 C1y C 25.4767 -15.9635
11 C1x C 26.6772 -15.2535
12 N1y N 27.8892 -15.9371
13 C1y C 27.8752 -17.3536
14 C1x C 29.0948 -18.0741
15 C1y C 30.3286 -17.3780
16 C1x C 30.3426 -15.9615
17 C1x C 29.1230 -15.2411
18 O5x O 23.0478 -20.1443
19 O1a O 31.5326 -18.0724
BOND 22
1 10 9 1 #Down
2 10 5 1
3 10 11 1
4 8 13 1
5 11 12 1
6 1 2 2
7 2 3 1
8 3 6 1
9 5 4 2
10 4 1 1
11 5 6 1
12 12 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 17 12 1
18 6 7 1
19 7 8 1
20 3 18 2
21 8 9 1 #Down
22 15 19 1 #Down
|