ATOM 21
1 C1y C 22.8475 -17.1928
2 C1y C 21.6817 -16.5248
3 C1y C 24.0197 -16.5126
4 C1x C 22.8291 -18.5895
5 C1z C 20.5218 -17.2050
6 C1x C 21.6695 -15.1705
7 C1z C 24.0256 -15.1584
8 C1x C 26.3637 -16.5186
9 C2x C 21.6877 -19.2089
10 C2y C 20.5218 -18.5409
11 C1x C 19.3801 -16.5491
12 C1a C 20.5036 -15.5773
13 C1x C 22.8415 -14.4904
14 C1y C 25.1977 -14.4844
15 C1a C 24.0255 -13.5463
16 C1x C 26.3637 -15.1705
17 C1x C 19.3618 -19.2150
18 C1x C 18.2203 -17.2050
19 C1y C 18.2203 -18.5409
20 O1a O 25.2047 -13.0900
21 X F 16.9852 -19.2459
BOND 24
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 5 12 1 #Up
12 6 13 1
13 7 14 1
14 7 15 1 #Up
15 8 16 1
16 10 17 1
17 11 18 1
18 17 19 1
19 7 13 1
20 9 10 2
21 14 16 1
22 18 19 1
23 14 20 1 #Up
24 19 21 1 #Up
|