ATOM 29
1 C1y C 23.3230 -17.9863
2 N4y N 24.4226 -16.0808
3 O2x O 22.2170 -17.1991
4 C1x C 22.9044 -19.2858
5 C8y C 23.2480 -15.3870
6 C8x C 25.6160 -15.3870
7 C1y C 21.1238 -17.9863
8 C1y C 21.5362 -19.2858
9 N4x N 23.2480 -14.0126
10 O5x O 22.0672 -16.0619
11 C8y C 25.6160 -14.0126
12 C1b C 19.8305 -17.5614
13 O1a O 20.7303 -20.3854
14 C8y C 24.4226 -13.3314
15 X F 26.7906 -13.3314
16 O2b O 18.8182 -18.4674
17 O5x O 24.4226 -11.9758
18 P1b P 17.4562 -18.4674
19 O2c O 16.1003 -18.4674
20 O1c O 17.4624 -17.1054
21 O1c O 17.4562 -19.8233
22 P1b P 14.7003 -18.4674
23 O1c O 14.7003 -17.0674
24 O2c O 13.3003 -18.4674
25 O1c O 14.7003 -19.8674
26 P1b P 11.9003 -18.4674
27 O1c O 11.9003 -17.0674
28 O1c O 10.5003 -18.4674
29 O1c O 11.9003 -19.8674
BOND 30
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
27 24 26 1
28 26 27 1
29 26 28 1
30 26 29 2
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