ATOM 26
1 N5x N 22.9329 -22.0653
2 N4y N 23.3665 -20.7344
3 C8y C 22.2365 -19.9056
4 N4y N 21.0998 -20.7344
5 C8y C 21.5331 -22.0653
6 C8y C 24.5798 -18.6336
7 C8y C 24.5798 -20.0335
8 C8x C 25.7960 -20.7371
9 C8y C 27.0052 -20.0335
10 C8y C 27.0052 -18.6336
11 C8x C 25.7960 -17.9371
12 C1b C 28.2097 -20.7371
13 C1c C 29.4197 -20.0335
14 C7a C 30.6297 -20.7371
15 O7a O 31.8396 -20.0335
16 C1b C 33.0425 -20.7371
17 C1a C 34.2526 -20.0335
18 X F 23.3628 -17.9371
19 X Cl 28.2097 -17.9302
20 X Cl 29.4126 -18.6336
21 O6a O 30.6926 -22.1369
22 C1c C 19.8877 -20.0264
23 X F 18.6777 -20.7300
24 C1a C 20.8232 -23.2696
25 O5x O 22.2932 -18.5700
26 X F 19.8806 -18.6266
BOND 27
1 12 13 1
2 2 3 1
3 13 14 1
4 3 4 1
5 14 15 1
6 4 5 1
7 15 16 1
8 5 1 2
9 16 17 1
10 6 7 2
11 6 18 1
12 7 8 1
13 10 19 1
14 8 9 2
15 13 20 1
16 9 10 1
17 14 21 2
18 7 2 1
19 10 11 2
20 4 22 1
21 11 6 1
22 22 23 1
23 5 24 1
24 9 12 1
25 3 25 2
26 1 2 1
27 22 26 1
|