ATOM 31
1 N1y N 13.5208 -6.4387
2 C5a C 13.2551 -5.6536
3 N1b N 12.4461 -5.4964
4 O5a O 13.8018 -5.0334
5 C1x C 13.0426 -7.1152
6 C1x C 13.5368 -7.7810
7 C8y C 14.3118 -6.6893
8 C8y C 14.3212 -7.5130
9 C8x C 15.0387 -7.9158
10 C8x C 15.0200 -6.2683
11 C8y C 15.7406 -6.6738
12 C8y C 15.7516 -7.4994
13 C8y C 11.7349 -5.9145
14 C8x C 11.0198 -5.5080
15 C8x C 10.3086 -5.9261
16 C8y C 10.3150 -6.7511
17 N5x N 11.0327 -7.1580
18 C8x C 11.7439 -6.7399
19 C1d C 16.4500 -6.2526
20 X F 17.1583 -5.8333
21 X F 16.8542 -6.9625
22 X F 16.0292 -5.5333
23 O2a O 9.6038 -7.1692
24 C8y C 8.8861 -6.7623
25 C8x C 8.8828 -5.9417
26 C8x C 8.1651 -5.5348
27 C8x C 7.4539 -5.9529
28 N5x N 7.4604 -6.7778
29 C8y C 8.1781 -7.1847
30 C1a C 8.1872 -8.0097
31 C1a C 16.4698 -7.9054
BOND 34
1 6 8 1
2 7 1 1
3 13 14 2
4 14 15 1
5 15 16 2
6 16 17 1
7 17 18 2
8 18 13 1
9 2 3 1
10 11 19 1
11 2 4 2
12 19 20 1
13 7 8 2
14 19 21 1
15 8 9 1
16 19 22 1
17 9 12 2
18 16 23 1
19 11 10 2
20 23 24 1
21 10 7 1
22 11 12 1
23 3 13 1
24 1 2 1
25 24 25 2
26 25 26 1
27 26 27 2
28 27 28 1
29 28 29 2
30 29 24 1
31 1 5 1
32 29 30 1
33 5 6 1
34 12 31 1
|