ATOM 31
1 C8y C 21.6003 -15.6682
2 C8y C 19.3067 -15.6682
3 C1y C 22.8375 -14.9445
4 C8x C 21.6003 -16.9930
5 C8y C 19.3067 -16.9930
6 C8x C 18.1570 -15.0088
7 C1x C 24.0863 -15.6624
8 C1x C 22.8375 -13.5147
9 N4y N 20.4505 -17.6524
10 C8x C 18.1570 -17.6583
11 C8y C 17.0248 -15.6682
12 C1x C 25.3237 -14.9445
13 C1x C 24.0806 -12.7910
14 C8y C 20.4564 -18.9772
15 C8x C 17.0248 -16.9930
16 X Cl 15.8985 -15.0145
17 N1y N 25.3237 -13.5088
18 C8x C 19.3125 -19.6308
19 C8x C 21.6003 -19.6308
20 C1b C 26.5549 -12.7793
21 C8x C 19.3125 -20.9555
22 C8x C 21.6003 -20.9555
23 C1b C 27.8039 -13.4971
24 C8y C 20.4564 -21.6093
25 N1y N 29.0411 -12.7736
26 X F 20.4564 -22.9340
27 C5x C 30.1733 -13.6489
28 C1x C 29.5255 -11.4313
29 N1x N 31.3580 -12.8494
30 O5x O 30.2024 -15.0904
31 C1x C 30.9552 -11.4079
BOND 35
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 6 11 2
11 7 12 1
12 8 13 1
13 9 14 1
14 10 15 2
15 11 16 1
16 12 17 1
17 14 18 2
18 14 19 1
19 17 20 1
20 18 21 1
21 19 22 2
22 20 23 1
23 21 24 2
24 23 25 1
25 24 26 1
26 25 27 1
27 25 28 1
28 27 29 1
29 27 30 2
30 28 31 1
31 5 9 1
32 11 15 1
33 13 17 1
34 22 24 1
35 29 31 1
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