ATOM 39
1 C8x C 29.1900 -17.1500
2 C8y C 29.1900 -18.5500
3 C8x C 28.0000 -19.2500
4 C8y C 26.7400 -18.5500
5 C8y C 26.7400 -17.1500
6 C8x C 28.0000 -16.4500
7 N4x N 25.4100 -16.7300
8 C8x C 24.5700 -17.8500
9 C8y C 25.4100 -18.9700
10 O2a O 30.3800 -19.2500
11 C1d C 31.5700 -18.5500
12 X F 32.7600 -17.7800
13 X F 32.2700 -19.7400
14 X F 30.8700 -17.3600
15 C5a C 24.9900 -20.3000
16 C1c C 23.5900 -20.5800
17 O5a O 25.9000 -21.3500
18 N1b N 22.6800 -19.5300
19 C8y C 23.1700 -21.9100
20 C8x C 21.7700 -22.1900
21 C8x C 21.3500 -23.5200
22 C8y C 22.3300 -24.5700
23 C8x C 23.6600 -24.2900
24 C8y C 24.1500 -22.9600
25 O2a O 25.5500 -22.6800
26 C1a C 26.6000 -23.8700
27 X Cl 21.9100 -25.9000
28 C8y C 21.2800 -19.8100
29 C8x C 20.3700 -18.7600
30 C8y C 18.9700 -19.0400
31 C8x C 18.5500 -20.3700
32 C8y C 19.5300 -21.4200
33 C8x C 20.8600 -21.1400
34 O2a O 19.1100 -22.7500
35 C1a C 17.7100 -23.0300
36 S4a S 18.0600 -17.9900
37 C1a C 17.0800 -17.0100
38 O3c O 17.0800 -18.9700
39 O3c O 19.0400 -17.0100
BOND 42
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 5 7 1
8 7 8 1
9 8 9 2
10 4 9 1
11 2 10 1
12 10 11 1
13 11 12 1
14 11 13 1
15 11 14 1
16 9 15 1
17 15 16 1
18 15 17 2
19 16 18 1
20 16 19 1 #Down
21 19 20 2
22 20 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 19 24 1
27 24 25 1
28 25 26 1
29 22 27 1
30 18 28 1
31 28 29 2
32 29 30 1
33 30 31 2
34 31 32 1
35 32 33 2
36 28 33 1
37 32 34 1
38 34 35 1
39 30 36 1
40 36 37 1
41 36 38 2
42 36 39 2
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