ATOM 18
1 C8x C 24.7006 -18.6718
2 C8x C 24.7006 -20.0704
3 C8x C 25.9118 -20.7697
4 C8x C 27.1231 -20.0704
5 C8y C 27.1231 -18.6718
6 C8x C 25.9118 -17.9725
7 N1c N 28.3594 -17.9725
8 S4a S 28.3654 -16.5901
9 N1c N 28.3654 -15.1901
10 C1a C 29.5663 -14.4967
11 C1a C 27.1414 -14.4834
12 S2a S 29.5677 -18.6807
13 C1d C 30.7597 -18.0028
14 X Cl 31.9398 -18.6945
15 X F 30.6992 -16.5905
16 X Cl 31.9722 -17.3028
17 O3c O 29.7500 -16.5931
18 O3c O 26.9500 -16.5870
BOND 18
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 1
11 9 11 1
12 7 12 1
13 12 13 1
14 13 14 1
15 13 15 1
16 13 16 1
17 8 17 2
18 8 18 2
|