ATOM 25
1 C8y C 24.7177 -15.6909
2 C8x C 24.7177 -17.0917
3 C8y C 25.9308 -17.7921
4 C8x C 27.1440 -17.0917
5 C8y C 27.1440 -15.6909
6 C8x C 25.9308 -14.9905
7 X Cl 25.9308 -19.1927
8 X Cl 23.5046 -14.9905
9 C1d C 28.3823 -14.9905
10 N1y N 29.5955 -15.6909
11 C1a C 29.3727 -14.0000
12 C1a C 27.3918 -14.0000
13 C5x C 29.5955 -17.0915
14 C2y C 30.8087 -17.7918
15 C2y C 32.0218 -17.0914
16 O2x O 32.0218 -15.6908
17 C1x C 30.8086 -14.9905
18 O5x O 28.4013 -17.7812
19 C8y C 30.8087 -19.1929
20 C8x C 29.5975 -19.8922
21 C8x C 29.5976 -21.2930
22 C8x C 30.8107 -21.9934
23 C8x C 32.0219 -21.2941
24 C8x C 32.0219 -19.8933
25 C1a C 33.2201 -17.7834
BOND 27
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 3 7 1
8 1 8 1
9 5 9 1
10 9 10 1
11 9 11 1
12 9 12 1
13 10 13 1
14 13 14 1
15 14 15 2
16 15 16 1
17 16 17 1
18 10 17 1
19 13 18 2
20 14 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 19 24 1
27 15 25 1
|