ATOM 22
1 C8x C 15.4700 -18.2700
2 C8y C 15.4700 -19.6700
3 C8x C 16.6824 -20.3700
4 C8x C 17.8949 -19.6700
5 C8y C 17.8949 -18.2700
6 C8x C 16.6824 -17.5700
7 C1d C 19.1324 -17.5700
8 C8y C 20.3449 -18.2700
9 C8x C 20.3449 -19.6698
10 C8x C 21.5573 -20.3698
11 C8x C 22.7697 -19.6698
12 C8x C 22.7697 -18.2700
13 C8y C 21.5573 -17.5700
14 X F 21.5573 -16.1700
15 C1b C 19.1324 -16.1700
16 N4y N 17.9032 -15.4603
17 O1a O 17.9200 -16.8700
18 N5x N 17.7583 -14.0794
19 C8x C 16.4002 -13.7905
20 N5x N 15.7058 -14.9928
21 C8x C 16.6347 -16.0248
22 X F 14.2576 -20.3700
BOND 24
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 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 13 14 1
16 7 15 1
17 15 16 1
18 7 17 1
19 16 18 1
20 18 19 2
21 19 20 1
22 20 21 2
23 16 21 1
24 2 22 1
|