ATOM 22
1 C1x C 27.4730 -25.7056
2 C1x C 28.6796 -26.4129
3 N1y N 29.8969 -25.7191
4 C1x C 29.9040 -24.3240
5 C1x C 28.6974 -23.6168
6 N1y N 27.4136 -24.3046
7 C1c C 26.2778 -23.5957
8 C1c C 31.1044 -26.4247
9 N1b N 26.2187 -22.1973
10 C4a C 27.5054 -21.5073
11 C1d C 25.0613 -24.2857
12 N1b N 31.0971 -27.8232
13 C1d C 32.3193 -25.7318
14 X Cl 23.8433 -23.5866
15 X Cl 23.8359 -24.9822
16 X Cl 25.0365 -25.6859
17 O4a O 27.5163 -20.1088
18 X Cl 33.5130 -25.0068
19 X Cl 33.6045 -26.2915
20 X Cl 32.3578 -24.3212
21 C4a C 29.8767 -28.5073
22 O4a O 29.8589 -29.9059
BOND 22
1 7 11 1
2 5 6 1
3 8 12 1
4 6 1 1
5 8 13 1
6 11 14 1
7 6 7 1
8 11 15 1
9 1 2 1
10 11 16 1
11 3 8 1
12 10 17 2
13 2 3 1
14 13 18 1
15 7 9 1
16 13 19 1
17 3 4 1
18 13 20 1
19 9 10 1
20 12 21 1
21 4 5 1
22 21 22 2
|