ATOM 26
1 C1b C 19.7400 -17.5700
2 C1b C 21.0000 -16.8700
3 C1b C 22.2600 -17.5700
4 N1y N 23.4500 -16.8700
5 C1x C 23.4500 -15.4700
6 C1x C 24.6400 -17.5700
7 C1x C 24.6400 -14.7700
8 C1x C 25.8300 -16.8700
9 C1z C 25.8300 -15.4700
10 C8y C 27.0200 -14.7700
11 C8x C 27.0200 -13.4400
12 C8x C 28.2800 -15.4700
13 C8x C 28.2800 -12.7400
14 C8x C 29.4700 -14.7700
15 C8y C 29.4700 -13.4400
16 X Cl 30.6600 -12.7400
17 C5a C 18.5500 -16.8700
18 C8y C 17.3600 -17.5700
19 O5a O 18.5500 -15.4000
20 C8x C 17.3600 -18.9700
21 C8x C 16.1000 -19.6700
22 C8y C 14.8400 -18.9700
23 C8x C 14.8400 -17.5700
24 C8x C 16.1000 -16.8700
25 X F 13.6500 -19.6700
26 O1a O 27.0200 -16.1700
BOND 28
1 9 10 1
2 10 11 1
3 10 12 2
4 11 13 2
5 12 14 1
6 13 15 1
7 15 16 1
8 8 9 1
9 14 15 2
10 1 17 1
11 1 2 1
12 17 18 1
13 2 3 1
14 17 19 2
15 3 4 1
16 4 5 1
17 4 6 1
18 5 7 1
19 6 8 1
20 18 20 1
21 20 21 2
22 21 22 1
23 22 23 2
24 23 24 1
25 24 18 2
26 7 9 1
27 22 25 1
28 9 26 1
|