ATOM 26
1 C1y C 20.5230 -17.9862
2 N4y N 21.6226 -16.0807
3 O2x O 19.4170 -17.1990
4 C1y C 20.1044 -19.2857
5 C8y C 20.4480 -15.3870
6 C8x C 22.8160 -15.3870
7 C1y C 18.3237 -17.9862
8 C1y C 18.7361 -19.2857
9 N4x N 20.4480 -14.0126
10 O5x O 19.2672 -16.0618
11 C8y C 22.8160 -14.0126
12 C1b C 17.0304 -17.5613
13 O1a O 17.9302 -20.3854
14 C8y C 21.6226 -13.3314
15 X F 23.9906 -13.3314
16 O2b O 16.0182 -18.4673
17 O5x O 21.6226 -11.9758
18 P1b P 14.6562 -18.4673
19 O2c O 13.3003 -18.4673
20 O1c O 14.6624 -17.1053
21 O1c O 14.6562 -19.8232
22 O1a O 20.9174 -20.4014
23 P1b P 11.9003 -18.4673
24 O1c O 11.9003 -17.0673
25 O1c O 10.5003 -18.4673
26 O1c O 11.9003 -19.8673
BOND 27
1 1 2 1 #Up
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 2
10 6 11 2
11 7 12 1 #Up
12 8 13 1 #Down
13 9 14 1
14 11 15 1
15 12 16 1
16 14 17 2
17 16 18 1
18 18 19 1
19 18 20 1
20 18 21 2
21 7 8 1
22 11 14 1
23 4 22 1 #Down
24 19 23 1
25 23 24 1
26 23 25 1
27 23 26 2
|