ATOM 25
1 C8y C 16.3800 -17.8500
2 C8x C 16.3800 -16.4500
3 C8x C 15.1900 -15.7500
4 C8y C 13.9300 -16.4500
5 C8x C 13.9300 -17.8500
6 C8y C 15.1900 -18.5500
7 S4a S 12.7400 -15.7500
8 C8y C 11.5500 -16.4500
9 C8x C 10.3600 -15.7500
10 C8x C 9.1000 -16.4500
11 C8x C 9.1000 -17.8500
12 C8y C 10.2900 -18.5500
13 C8x C 11.5500 -17.8500
14 C1x C 15.1900 -19.9500
15 C1x C 16.3800 -20.6500
16 C1x C 17.5700 -19.9500
17 C1y C 17.5700 -18.5500
18 C1b C 18.7600 -17.8500
19 N1b N 19.9500 -18.5500
20 C5a C 21.1400 -17.8500
21 N1a N 22.3300 -18.5500
22 O5a O 21.1400 -16.4500
23 O3c O 13.7200 -14.7700
24 O3c O 11.7600 -14.7700
25 X F 10.2900 -19.9500
BOND 27
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 4 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 6 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 1 17 1
20 17 18 1 #Down
21 18 19 1
22 19 20 1
23 20 21 1
24 20 22 2
25 7 23 2
26 7 24 2
27 12 25 1
|