ATOM 25
1 C8y C 22.7299 -15.8147
2 C8y C 22.7299 -14.4123
3 N4y N 23.9921 -16.5159
4 C8y C 21.4677 -16.5159
5 C8y C 23.9921 -13.7111
6 C8x C 21.4677 -13.7111
7 C8x C 25.2076 -15.8147
8 C1b C 23.9921 -17.8716
9 C8y C 20.2991 -15.8614
10 X F 21.4677 -17.8716
11 C8y C 25.2076 -14.4123
12 O5x O 23.9921 -12.3087
13 C8y C 20.2991 -14.4590
14 N1y N 19.0836 -16.5626
15 C6a C 26.4230 -13.7111
16 X F 19.0836 -13.8045
17 C1x C 19.0836 -17.9183
18 C1x C 17.8682 -15.9082
19 O6a O 26.4230 -12.3087
20 O6a O 27.6384 -14.4123
21 C1y C 17.8682 -18.6662
22 C1x C 16.6528 -16.6094
23 N1x N 16.6528 -17.9650
24 C1a C 17.8682 -20.1154
25 C1a C 22.7767 -18.5728
BOND 27
1 1 2 2
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 2
9 4 10 1
10 5 11 1
11 5 12 2
12 6 13 2
13 9 14 1
14 11 15 1
15 13 16 1
16 14 17 1
17 14 18 1
18 15 19 2
19 15 20 1
20 17 21 1
21 18 22 1
22 21 23 1
23 21 24 1
24 7 11 2
25 9 13 1
26 22 23 1
27 8 25 1
|