ATOM 25
1 C8y C 12.5300 -17.9900
2 C8y C 12.5300 -19.3900
3 C8x C 13.7424 -20.0900
4 C8x C 14.9549 -19.3900
5 C8y C 14.9549 -17.9900
6 C8x C 13.7424 -17.2900
7 S4a S 16.1924 -17.2900
8 N1b N 17.4049 -17.9900
9 C8y C 18.6173 -17.2900
10 C8y C 19.8318 -17.9912
11 C8x C 21.0442 -17.2912
12 C8y C 21.0442 -15.8912
13 C8x C 19.8297 -15.1900
14 C8x C 18.6173 -15.8900
15 C1d C 11.3176 -17.2900
16 X Cl 11.3176 -20.0900
17 X F 10.1221 -17.9804
18 X F 11.3175 -15.8902
19 X F 10.1051 -16.5900
20 O3c O 15.2725 -16.1601
21 O3c O 17.1024 -16.2176
22 X Cl 19.8317 -19.3898
23 N2b N 22.2763 -15.1796 #+
24 O3a O 23.4810 -15.8750 #-
25 O3a O 22.2761 -13.7901
BOND 26
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 2
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 9 14 1
16 1 15 1
17 2 16 1
18 15 17 1
19 15 18 1
20 15 19 1
21 7 20 2
22 7 21 2
23 10 22 1
24 12 23 1
25 23 24 1
26 23 25 2
|