ATOM 21
1 C1y C 17.1860 -15.2716
2 C1y C 15.9675 -14.5670
3 C1y C 18.4111 -14.5543
4 C1x C 17.1924 -16.7504
5 C1z C 14.7551 -15.2779
6 C1x C 15.9548 -13.1581
7 C1z C 18.4174 -13.1391
8 C1x C 19.7501 -14.9860
9 C1x C 15.9738 -17.3725
10 C1y C 14.7551 -16.6743
11 C1x C 13.5429 -14.5862
12 C1a C 14.7489 -13.9007
13 C1x C 17.1797 -12.4408
14 C1x C 19.7628 -12.7137
15 C1a C 18.4363 -11.8061
16 C5x C 20.5817 -13.8626
17 C1x C 13.5429 -17.3787
18 C1x C 12.3496 -15.2779
19 O5x O 21.9589 -13.8753
20 C1y C 12.3496 -16.6743
21 O1a O 11.1501 -17.3598
BOND 24
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 7 14 1
14 7 15 1
15 8 16 1
16 10 17 1
17 11 18 1
18 16 19 2
19 17 20 1
20 20 21 1
21 7 13 1
22 9 10 1
23 14 16 1
24 18 20 1
|