ATOM 30
1 C8y C 20.3214 -19.6630
2 N1y N 21.5287 -18.9688
3 C8y C 20.3214 -21.0568
4 C8x C 19.1084 -18.9688
5 C8y C 22.7533 -19.6863
6 C1b C 21.5287 -17.5517
7 S2x S 21.5287 -21.7450
8 C8x C 19.1084 -21.7450
9 C8x C 17.9012 -19.6863
10 C8y C 22.7533 -21.0334
11 C8x C 23.9665 -18.9864
12 C1b C 22.7533 -16.8518
13 C8x C 17.9012 -21.0334
14 C8x C 23.9665 -21.7333
15 C8y C 25.1912 -19.6980
16 C1b C 22.7533 -15.4463
17 C8x C 25.1912 -21.0217
18 N1y N 23.9665 -14.7464
19 C1x C 23.9082 -13.3468
20 C1x C 25.1738 -15.4463
21 C1x C 25.1912 -12.6586
22 C1x C 26.4044 -14.7349
23 N1y N 26.4044 -13.3701
24 C1b C 27.6874 -12.6994
25 C1b C 28.8976 -13.4271
26 O1a O 30.1262 -12.7465
27 C1d C 26.4233 -18.9892
28 X F 27.5800 -18.2700
29 X F 27.0900 -20.1600
30 X F 25.6900 -17.7800
BOND 33
1 18 19 1
2 18 20 1
3 19 21 1
4 20 22 1
5 21 23 1
6 23 24 1
7 7 10 1
8 9 13 1
9 15 17 1
10 22 23 1
11 1 2 1
12 1 3 2
13 1 4 1
14 2 5 1
15 2 6 1
16 3 7 1
17 3 8 1
18 4 9 2
19 5 10 2
20 5 11 1
21 6 12 1
22 8 13 2
23 10 14 1
24 11 15 2
25 12 16 1
26 14 17 2
27 16 18 1
28 24 25 1
29 25 26 1
30 15 27 1
31 27 28 1
32 27 29 1
33 27 30 1
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