ATOM 24
1 C8x C 8.3300 -15.1900
2 N5x N 8.3300 -16.5900
3 C8y C 9.5424 -17.2900
4 N4y N 10.7549 -16.5900
5 C8y C 10.7549 -15.1900
6 C8y C 9.5424 -14.4900
7 N5x N 12.0864 -17.0226
8 C8y C 12.9093 -15.8900
9 N5x N 12.0864 -14.7574
10 S4a S 14.2800 -15.8900
11 N1b N 15.6800 -15.8900
12 O3c O 14.2800 -14.4900
13 O3c O 14.2800 -17.2900
14 C8y C 16.3800 -17.1024
15 C8y C 15.6896 -18.2979
16 C8x C 16.3895 -19.5104
17 C8x C 17.7895 -19.5106
18 C8x C 18.4799 -18.3150
19 C8y C 17.7800 -17.1025
20 X F 18.4900 -15.8734
21 X F 14.2803 -18.2980
22 O2a O 9.5424 -18.6898
23 X F 9.5424 -13.0902
24 C1a C 8.3132 -19.3996
BOND 26
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 2
9 8 9 1
10 5 9 2
11 8 10 1
12 10 11 1
13 10 12 2
14 10 13 2
15 11 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 14 19 1
22 19 20 1
23 15 21 1
24 3 22 1
25 6 23 1
26 22 24 1
|