ATOM 26
1 C8x C 20.8600 -17.5700
2 C8x C 20.8600 -18.9700
3 C8x C 19.6700 -19.6000
4 C8x C 18.4800 -18.9700
5 C8y C 18.4800 -17.5700
6 C8x C 19.6700 -16.8700
7 C8x C 16.0300 -18.9700
8 C8y C 16.0300 -17.5700
9 C1d C 17.2900 -16.8700
10 C8x C 14.8400 -19.6000
11 C8x C 13.6500 -18.9700
12 C8x C 13.6500 -17.5700
13 C8x C 14.8400 -16.8700
14 C1b C 18.6200 -15.8200
15 C1c C 18.6200 -14.4200
16 C1a C 17.3600 -13.7200
17 N1b N 19.7400 -13.7900
18 C1c C 16.0300 -15.8200
19 O7a O 16.0300 -14.4200
20 C7a C 14.9100 -13.7200
21 C1a C 13.6500 -14.4200
22 O6a O 14.9100 -12.3900
23 C1a C 20.9300 -14.4200
24 C1b C 14.7622 -16.4138
25 C1a C 13.5497 -15.7138
26 X Cl 23.6600 -18.6900
BOND 26
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 7 8 1
8 8 9 1
9 5 9 1
10 7 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 8 13 2
15 9 14 1
16 14 15 1
17 15 16 1
18 15 17 1
19 9 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 20 22 2
24 17 23 1
25 18 24 1
26 24 25 1
|