ATOM 34
1 C1b C 32.0578 -15.9893
2 C8y C 33.2685 -15.2851
3 O2a O 30.8531 -15.2851
4 C1c C 29.6426 -15.9893
5 C8y C 28.4378 -15.2851
6 C8y C 27.2330 -15.9893
7 C8x C 28.4378 -13.8882
8 C8x C 26.0165 -15.2851
9 C8x C 27.2330 -13.1897
10 C8y C 26.0165 -13.8882
11 X Cl 24.8000 -13.1897
12 X Cl 27.2359 -17.3860
13 C8x C 34.5191 -16.0014
14 C8x C 35.7282 -15.2977
15 C8y C 35.7233 -13.8989
16 C8x C 34.4726 -13.1826
17 C8y C 33.2635 -13.8863
18 C1b C 29.6407 -17.4158
19 N4y N 30.8670 -18.1260
20 X Cl 32.0473 -13.1700
21 X Cl 36.9408 -13.1900
22 C8x C 30.8670 -19.5260
23 C8x C 32.1985 -19.9587
24 N5y N 33.0214 -18.8260 #+
25 C8x C 32.1985 -17.6934
26 C1b C 34.4400 -18.8260
27 C1b C 35.1418 -20.0414
28 C8y C 36.5398 -20.0413
29 C8x C 37.2308 -21.2377
30 C8x C 38.6308 -21.2375
31 C8x C 39.3306 -20.0249
32 C8x C 38.6396 -18.8285
33 C8x C 37.2396 -18.8288
34 X Cl 33.0889 -21.1929 #-
BOND 36
1 1 2 1
2 1 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 5 7 2
7 6 8 2
8 7 9 1
9 8 10 1
10 10 11 1
11 9 10 2
12 6 12 1
13 2 13 2
14 13 14 1
15 14 15 2
16 15 16 1
17 16 17 2
18 2 17 1
19 4 18 1
20 18 19 1
21 17 20 1
22 15 21 1
23 19 22 1
24 22 23 2
25 23 24 1
26 24 25 2
27 19 25 1
28 24 26 1
29 26 27 1
30 27 28 1
31 28 29 2
32 29 30 1
33 30 31 2
34 31 32 1
35 32 33 2
36 28 33 1
| 
