ATOM 19
1 C8x C 16.3800 -18.3400
2 C8y C 16.3800 -19.7400
3 C8x C 17.5924 -20.4400
4 C8x C 18.8049 -19.7400
5 C8y C 18.8049 -18.3400
6 C8x C 17.5924 -17.6400
7 C1b C 20.0424 -17.6400
8 C1c C 21.2549 -18.3400
9 C6a C 22.4673 -17.6400
10 N1c N 15.1676 -20.4400
11 C1b C 13.9551 -19.7400
12 C1b C 12.7427 -20.4400
13 N1a N 21.2549 -19.7398
14 C1b C 15.1676 -21.8398
15 C1b C 13.9720 -22.5302
16 X Cl 12.7848 -21.8448
17 X Cl 11.5282 -19.7388
18 O6a O 23.6818 -18.3412
19 O6a O 22.4673 -16.2400
BOND 19
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 2 10 1
11 10 11 1
12 11 12 1
13 8 13 1
14 10 14 1
15 14 15 1
16 15 16 1
17 12 17 1
18 9 18 1
19 9 19 2
|