ATOM 36
1 C8x C 23.1700 -19.1100
2 C8y C 23.1700 -20.5100
3 C8x C 24.4300 -21.2100
4 C8x C 25.6200 -20.5100
5 C8y C 25.6200 -19.1100
6 C8x C 24.4300 -18.4100
7 O2a O 21.9800 -21.2100
8 C1d C 20.7900 -20.5100
9 N1c N 26.8100 -18.4100
10 C5a C 28.0700 -19.1100
11 O5a O 28.0700 -20.5100
12 C7a C 26.8100 -17.0100
13 O6a O 25.6200 -16.3100
14 O7a O 28.0700 -16.3100
15 C1a C 28.0700 -14.9100
16 N1y N 29.2600 -18.4100
17 N2x N 30.4500 -19.1100
18 C2y C 31.6400 -18.4100
19 C1z C 31.6400 -17.0100
20 O2x O 30.4500 -16.3100
21 C1x C 29.2600 -17.0100
22 C8y C 32.9700 -18.8300
23 C8y C 33.8100 -17.7100
24 C1x C 32.9700 -16.5900
25 C8x C 33.5300 -20.1600
26 C8x C 34.9300 -20.3000
27 C8y C 35.7700 -19.1800
28 C8x C 35.2100 -17.8500
29 X Cl 37.1700 -19.3200
30 C7a C 31.6400 -15.5400
31 O7a O 32.8524 -14.8400
32 O6a O 30.4276 -14.8400
33 C1a C 34.0479 -15.5304
34 X F 19.5719 -21.2001
35 X F 20.8014 -19.1100
36 X F 19.5776 -19.8100
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 2 7 1
8 7 8 1
9 5 9 1
10 9 10 1
11 10 11 2
12 9 12 1
13 12 13 2
14 12 14 1
15 14 15 1
16 10 16 1
17 16 17 1
18 17 18 2
19 18 19 1
20 20 21 1
21 16 21 1
22 19 20 1
23 18 22 1
24 22 23 1
25 23 24 1
26 19 24 1
27 22 25 2
28 25 26 1
29 26 27 2
30 27 28 1
31 23 28 2
32 27 29 1
33 19 30 1 #Down
34 30 31 1
35 30 32 2
36 31 33 1
37 8 34 1
38 8 35 1
39 8 36 1
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