ATOM 26
1 C1y C 29.9630 -21.2488
2 C1y C 28.7795 -20.5900
3 C1y C 31.1174 -20.5783
4 C1x C 29.9688 -22.6014
5 C1z C 27.6193 -21.2662
6 C1x C 28.7738 -19.2433
7 C1z C 31.1757 -19.2374
8 C1x C 33.4785 -20.5783
9 C1x C 28.7969 -23.2951
10 C2y C 27.6368 -22.6188
11 C1x C 26.4532 -20.6016
12 C1a C 27.6134 -19.9253
13 C1x C 29.9397 -18.5670
14 C1y C 32.2833 -18.5437
15 C1a C 31.1640 -17.8265
16 C1y C 33.4611 -19.2257
17 C2x C 26.4649 -23.3067
18 C1x C 25.2815 -21.2779
19 O7a O 32.2776 -17.1328
20 C5x C 25.2874 -22.6305
21 O5x O 24.0806 -23.3301
22 X F 34.6580 -18.5256
23 C7a C 33.4901 -16.4328
24 C1b C 34.6869 -17.1243
25 O6a O 33.4899 -15.0503
26 C1a C 35.9125 -16.4166
BOND 29
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 #Up
12 6 13 1
13 7 14 1
14 7 15 1 #Up
15 8 16 1
16 10 17 2
17 11 18 1
18 14 19 1 #Up
19 17 20 1
20 20 21 2
21 7 13 1
22 9 10 1
23 14 16 1
24 18 20 1
25 16 22 1 #Down
26 19 23 1
27 23 24 1
28 23 25 2
29 24 26 1
|