ATOM 40
1 C8y C 21.6016 -19.0810
2 C8y C 22.8087 -19.7867
3 N5x N 20.3830 -19.7691
4 C8x C 21.6132 -17.6815
5 C8y C 22.8029 -21.1803
6 C8x C 24.0158 -19.0986
7 C8x C 20.3770 -21.1746
8 C8y C 22.8262 -16.9876
9 C8x C 21.5899 -21.8801
10 N1b N 24.0041 -21.8858
11 C8x C 24.0274 -17.6990
12 C1d C 22.8203 -15.5764
13 C8y C 25.2171 -21.1746
14 X F 22.8203 -14.1764
15 X F 21.4203 -15.5793
16 X F 24.2195 -15.6435
17 C8x C 26.4065 -21.8502
18 C8x C 27.6140 -21.1416
19 C8y C 27.6041 -19.7417
20 C8x C 26.4147 -19.0661
21 C8x C 25.2072 -19.7746
22 C5a C 28.7942 -19.0431
23 N1y N 29.9919 -19.7233
24 O5a O 28.7843 -17.6401
25 C1x C 29.9323 -21.1394
26 C1x C 31.2199 -21.8304
27 N1y N 32.4271 -21.1215
28 C1x C 32.4167 -19.7055
29 C1x C 31.1992 -19.0144
30 S4a S 33.6394 -21.8097
31 C8y C 34.8556 -21.0954
32 C8x C 36.0656 -21.7818
33 C8x C 37.2726 -21.0726
34 C8y C 37.2620 -19.6726
35 C8x C 36.0520 -18.9862
36 C8x C 34.8449 -19.6954
37 X F 38.4537 -18.9722
38 O3c O 32.6495 -22.7996
39 O3c O 34.8518 -22.5097
40 X Cl 33.6700 -15.1900
BOND 43
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 4 8 2
8 5 9 2
9 5 10 1
10 6 11 2
11 8 12 1
12 10 13 1
13 7 9 1
14 8 11 1
15 12 14 1
16 12 15 1
17 12 16 1
18 13 17 2
19 17 18 1
20 18 19 2
21 19 20 1
22 20 21 2
23 13 21 1
24 19 22 1
25 22 23 1
26 22 24 2
27 23 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 28 29 1
32 23 29 1
33 27 30 1
34 30 31 1
35 31 32 2
36 32 33 1
37 33 34 2
38 34 35 1
39 35 36 2
40 31 36 1
41 34 37 1
42 30 38 2
43 30 39 2
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