ATOM 25
1 C1y C 21.9231 -17.9863
2 N4y N 23.0227 -16.0808
3 O2x O 20.8171 -17.1991
4 C1x C 21.5045 -19.2858
5 C8y C 21.8481 -15.3870
6 C8x C 24.2161 -15.3870
7 C1y C 19.7238 -17.9863
8 C1y C 20.1362 -19.2858
9 N4x N 21.8481 -14.0126
10 O5x O 20.6673 -16.0619
11 C8y C 24.2161 -14.0126
12 C1b C 18.4305 -17.5614
13 O1a O 19.3303 -20.3855
14 C8y C 23.0227 -13.3314
15 X F 25.3907 -13.3314
16 O2b O 17.4182 -18.4674
17 O5x O 23.0227 -11.9758
18 P1b P 16.0562 -18.4674
19 O2c O 14.7003 -18.4674
20 O1c O 16.0624 -17.1054
21 O1c O 16.0562 -19.8233
22 P1b P 13.3003 -18.4674
23 O1c O 13.3003 -17.0674
24 O1c O 11.9003 -18.4674
25 O1c O 13.3003 -19.8674
BOND 26
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 19 22 1
24 22 23 1
25 22 24 1
26 22 25 2
| 
