ATOM 37
1 C2y C 18.7600 -15.6800
2 O2x O 17.0100 -14.2800
3 C1z C 16.5900 -15.6800
4 C1x C 17.6400 -16.5200
5 N2x N 18.3400 -14.2800
6 C1d C 15.5400 -14.6300
7 X F 14.1400 -14.6300
8 X F 15.5400 -13.2300
9 X F 14.5600 -13.6500
10 C8y C 12.8800 -16.3800
11 C8y C 12.8800 -17.7800
12 C8y C 14.0700 -18.4800
13 C8x C 15.4000 -17.7800
14 C8y C 15.4000 -16.3800
15 C8x C 14.0700 -15.6800
16 X Cl 11.6900 -15.6800
17 X Cl 14.0700 -19.8100
18 X F 11.6900 -18.4800
19 C8y C 19.8800 -16.3800
20 C8x C 19.8800 -17.7800
21 C8y C 21.0700 -18.4800
22 C8y C 22.2600 -17.7800
23 C8x C 22.2600 -16.3800
24 C8x C 21.0700 -15.6800
25 C1x C 21.3500 -19.8100
26 O2x O 22.7500 -19.9500
27 C1z C 23.3100 -18.6900
28 C1x C 24.2900 -17.7100
29 C1x C 24.2900 -19.6700
30 N1y N 25.2700 -18.6900
31 C5a C 26.6700 -18.3400
32 C1b C 27.6500 -19.3200
33 S4a S 28.9800 -18.9700
34 C1a C 29.3300 -20.3000
35 O3c O 28.6300 -17.5700
36 O3c O 30.3100 -18.6200
37 O5a O 27.0200 -17.0100
BOND 41
1 2 3 1
2 3 4 1
3 4 1 1
4 2 5 1
5 5 1 2
6 3 6 1
7 6 7 1
8 6 8 1
9 6 9 1
10 10 11 2
11 11 12 1
12 12 13 2
13 13 14 1
14 14 15 2
15 10 15 1
16 10 16 1
17 12 17 1
18 3 14 1 #Up
19 11 18 1
20 19 20 2
21 20 21 1
22 21 22 2
23 22 23 1
24 23 24 2
25 19 24 1
26 21 25 1
27 25 26 1
28 26 27 1
29 22 27 1
30 27 28 1
31 27 29 1
32 28 30 1
33 30 29 1
34 30 31 1
35 31 32 1
36 32 33 1
37 33 34 1
38 33 35 2
39 33 36 2
40 31 37 2
41 1 19 1
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