ATOM 17
1 P1b P 26.6098 -17.5318
2 O2b O 25.1908 -17.5318
3 O2b O 26.6098 -18.8799
4 O3b O 26.6089 -16.1837
5 C1c C 27.8870 -17.5318
6 C1a C 24.4813 -16.2546
7 C1a C 25.4036 -19.5894
8 O7a O 28.5965 -18.7380
9 C7a C 28.5965 -20.1570
10 O6a O 27.3676 -20.8665
11 C1b C 29.8254 -20.8665
12 C1b C 31.0371 -20.1667
13 C1a C 32.2407 -20.8616
14 C1d C 28.5915 -16.3000
15 X Cl 29.9599 -16.2946
16 X Cl 27.8834 -15.0844
17 X Cl 29.2915 -15.0875
BOND 16
1 1 2 1
2 1 3 1
3 1 4 2
4 1 5 1
5 2 6 1
6 3 7 1
7 5 8 1
8 8 9 1
9 9 10 2
10 9 11 1
11 11 12 1
12 12 13 1
13 5 14 1
14 14 15 1
15 14 16 1
16 14 17 1
|