ATOM 38
1 C8x C 8.1900 -9.8000
2 C8x C 8.1900 -11.2000
3 C8x C 9.4024 -11.9000
4 C8y C 10.6149 -11.2000
5 C8y C 10.6149 -9.8000
6 C8y C 9.4024 -9.1000
7 X I 9.4024 -7.7002
8 C5a C 11.8460 -9.0890
9 N1b N 13.0512 -9.7847
10 O5a O 11.8457 -7.7001
11 C1d C 14.7235 -9.1019
12 C1b C 15.9875 -9.7912
13 C1a C 13.8135 -7.8894
14 C1a C 15.4935 -7.8894
15 C5a C 11.8460 -11.9110
16 N1b N 13.0512 -11.2153
17 O5a O 11.8457 -13.2999
18 C8y C 14.2335 -11.8981
19 C8y C 14.2334 -13.2998
20 C8x C 15.4458 -13.9999
21 C8y C 16.6583 -13.3000
22 C8x C 16.6584 -11.8983
23 C8x C 15.4460 -11.1982
24 C1d C 17.8720 -14.0008
25 X F 18.8619 -13.0109
26 C1d C 17.5096 -15.3531
27 C1d C 19.0844 -14.7008
28 X F 19.4467 -16.0531
29 X F 20.4367 -15.0632
30 X F 20.2968 -14.0008
31 X F 16.1096 -15.3531
32 X F 16.8096 -16.5656
33 X F 18.2096 -16.5656
34 C1a C 13.0034 -14.0100
35 S4a S 17.1585 -9.0764
36 O3c O 18.7409 -8.6982
37 O3c O 17.1809 -7.5364
38 C1a C 18.1508 -10.3587
BOND 39
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 6 7 1
8 5 8 1
9 8 9 1
10 8 10 2
11 9 11 1
12 11 12 1
13 11 13 1
14 11 14 1
15 4 15 1
16 15 16 1
17 15 17 2
18 16 18 1
19 18 19 2
20 19 20 1
21 20 21 2
22 21 22 1
23 22 23 2
24 18 23 1
25 21 24 1
26 24 25 1
27 24 26 1
28 24 27 1
29 27 28 1
30 27 29 1
31 27 30 1
32 26 31 1
33 26 32 1
34 26 33 1
35 19 34 1
36 12 35 1
37 35 36 2
38 35 37 2
39 35 38 1
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