ATOM 15
1 C8y C 30.1612 -20.0917
2 C8x C 30.1729 -21.4905
3 C8y C 31.3735 -19.3982
4 N4x N 31.3735 -22.1957
5 N4x N 32.5916 -20.0917
6 O5x O 31.3851 -17.9936
7 C8y C 32.5916 -21.4963
8 O5x O 33.8040 -22.1898
9 N1c N 28.9521 -19.3974
10 C1b C 28.9487 -17.9843
11 C1b C 27.7418 -20.0999
12 C1b C 27.7450 -21.4898
13 X Cl 26.5154 -22.2035
14 C1b C 30.1801 -17.2690
15 X Cl 30.1801 -15.8690
BOND 15
1 7 8 2
2 5 7 1
3 1 9 1
4 1 2 2
5 1 3 1
6 2 4 1
7 3 5 1
8 3 6 2
9 4 7 1
10 9 10 1
11 9 11 1
12 11 12 1
13 12 13 1
14 10 14 1
15 14 15 1
|