ATOM 41
1 C8x C 30.9400 -22.9600
2 C8x C 30.9400 -21.5600
3 C8x C 29.7500 -20.8600
4 C8y C 28.4900 -21.5600
5 C8y C 28.4900 -22.9600
6 C8y C 29.7500 -23.6600
7 C1b C 28.4900 -18.7600
8 N1c N 27.3000 -19.4600
9 C1b C 27.3000 -20.8600
10 C1c C 28.4900 -17.3600
11 C8y C 27.3000 -16.6600
12 C8x C 26.1100 -17.3600
13 C1b C 26.1100 -18.7600
14 C8x C 27.3000 -15.2600
15 C8x C 26.1100 -14.5600
16 C8x C 24.8500 -15.2600
17 C8x C 24.8500 -16.6600
18 C8y C 29.7500 -16.6600
19 C8x C 29.7500 -15.2600
20 C8x C 30.9400 -17.3600
21 C8x C 32.1300 -16.6600
22 C8x C 32.1300 -15.2600
23 C8x C 30.9400 -14.5600
24 C1b C 23.6600 -18.7600
25 C1b C 24.8500 -19.4600
26 C8x C 21.2100 -17.3600
27 C8y C 21.2100 -18.7600
28 O2a O 22.4700 -19.4600
29 C8x C 20.0200 -16.6600
30 C8x C 18.8300 -17.3600
31 C8y C 18.8300 -18.7600
32 C8x C 20.0200 -19.4600
33 O6a O 16.3800 -17.3600
34 C6a C 16.3800 -18.7600
35 C1b C 17.5700 -19.4600
36 O6a O 15.1900 -19.4600
37 X Cl 27.2834 -23.6700
38 C1d C 29.7672 -25.0599
39 X F 30.9751 -25.7376
40 X F 28.5508 -25.7824
41 X F 29.7672 -26.4599
BOND 44
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 7 8 1
8 8 9 1
9 4 9 1
10 7 10 1
11 10 11 1
12 11 12 1
13 8 13 1
14 11 14 2
15 14 15 1
16 15 16 2
17 16 17 1
18 12 17 2
19 10 18 1
20 18 19 1
21 18 20 2
22 20 21 1
23 21 22 2
24 22 23 1
25 23 19 2
26 24 25 1
27 13 25 1
28 26 27 1
29 27 28 1
30 24 28 1
31 26 29 2
32 29 30 1
33 30 31 2
34 31 32 1
35 27 32 2
36 33 34 2
37 34 35 1
38 31 35 1
39 34 36 1
40 5 37 1
41 6 38 1
42 38 39 1
43 38 40 1
44 38 41 1
| 
