ATOM 33
1 C8y C 13.3000 -18.0600
2 C8x C 13.3000 -19.4600
3 C8y C 14.5124 -20.1600
4 N5x N 15.7249 -19.4600
5 C8y C 15.7249 -18.0600
6 N5x N 14.5124 -17.3600
7 N1b N 16.9624 -17.3600
8 C5a C 18.1749 -18.0600
9 N1b N 19.3873 -17.3600
10 S4a S 21.0897 -18.0600
11 O2a O 14.5124 -21.5598
12 C1a C 13.2832 -22.2697
13 O5a O 18.1749 -19.4598
14 C8y C 22.5673 -16.9485
15 O3c O 20.3197 -19.3424
16 O3c O 21.9297 -19.3424
17 C8x C 23.7556 -17.6345
18 C8x C 24.9680 -16.9345
19 C8x C 24.9680 -15.5345
20 N5x N 23.7797 -14.8485
21 C8y C 22.5673 -15.5485
22 C1c C 21.3308 -14.8344
23 C1c C 20.1304 -15.5275
24 O7a O 21.3309 -13.4401
25 C1a C 18.9456 -14.8434
26 X F 20.1315 -16.7894
27 C7a C 20.1329 -12.7482
28 O6a O 18.9443 -13.4343
29 C1b C 20.1328 -11.3403
30 O2a O 18.9408 -10.6518
31 O2a O 12.0876 -17.3600
32 C1a C 10.8921 -18.0504
33 C1a C 18.9408 -9.2518
BOND 34
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 3 11 1
12 11 12 1
13 8 13 2
14 10 14 1
15 10 15 2
16 10 16 2
17 14 17 2
18 17 18 1
19 18 19 2
20 19 20 1
21 20 21 2
22 14 21 1
23 21 22 1
24 22 23 1
25 22 24 1
26 23 25 1
27 23 26 1
28 24 27 1
29 27 28 2
30 27 29 1
31 29 30 1
32 1 31 1
33 31 32 1
34 30 33 1
| 
