ATOM 23
1 C8y C 31.6334 -18.8655
2 C1y C 31.6334 -20.2651
3 C8x C 32.8405 -18.1774
4 C8x C 30.4146 -18.1717
5 O2x O 30.3506 -20.9708
6 C1x C 32.8348 -20.9708
7 C8x C 32.8405 -16.7721
8 C8x C 30.3506 -16.7721
9 C1y C 30.4146 -22.3644
10 C1x C 32.8348 -22.3703
11 C8y C 31.6334 -16.0666
12 C1b C 29.2075 -23.0584
13 C1x C 31.6277 -23.0642
14 O2a O 31.6334 -14.6671
15 C1b C 27.9947 -22.3587
16 C1a C 32.8464 -13.9673
17 C8y C 26.7876 -23.0525
18 C8x C 26.7876 -24.4521
19 C8x C 25.5747 -22.3527
20 C8x C 25.5747 -25.1576
21 C8x C 24.3560 -23.0525
22 C8y C 24.3560 -24.4521
23 O1a O 23.1429 -25.1576
BOND 25
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 2
8 5 9 1
9 6 10 1
10 7 11 2
11 9 12 1
12 9 13 1
13 11 14 1
14 12 15 1
15 14 16 1
16 15 17 1
17 17 18 2
18 17 19 1
19 18 20 1
20 19 21 2
21 20 22 2
22 22 23 1
23 8 11 1
24 10 13 1
25 21 22 1
|