ATOM 37
1 C2x C 19.6000 -28.4200
2 C5x C 19.6000 -29.7500
3 C2x C 20.7900 -30.4500
4 C2y C 21.9100 -29.7500
5 C1z C 21.9100 -28.4200
6 C2x C 20.7900 -27.7200
7 C1y C 23.1000 -30.4500
8 C1x C 24.3600 -29.7500
9 C1y C 24.3600 -28.4200
10 C1z C 23.1000 -27.7200
11 C1y C 25.4100 -27.7200
12 C1z C 25.4100 -26.3900
13 C1x C 24.3600 -25.6900
14 C1y C 23.1000 -26.3900
15 C1x C 27.7200 -27.7200
16 C1y C 27.7200 -26.3900
17 C1z C 26.5300 -25.6900
18 O5x O 18.4100 -30.4500
19 C1a C 21.9100 -27.0200
20 X F 23.1000 -29.0500
21 O1a O 21.9100 -25.6900
22 C1a C 25.4100 -24.9900
23 O2x O 27.9300 -24.7800
24 O2x O 29.1200 -26.3900
25 X F 23.1000 -31.8500
26 C1z C 29.3300 -24.7800
27 C1a C 29.3300 -23.3800
28 C1a C 30.7300 -24.7800
29 C5a C 26.5300 -24.1500
30 O5a O 27.7200 -23.4500
31 C1b C 25.3400 -23.4500
32 O7a O 24.1500 -24.1500
33 C7a C 22.9600 -23.4500
34 C1y C 21.7700 -24.1500
35 O6a O 22.9600 -22.0500
36 C1x C 20.5800 -23.4500
37 C1x C 20.5800 -24.8500
BOND 42
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 2 18 2
22 5 19 1 #Up
23 10 20 1 #Down
24 14 21 1 #Up
25 12 22 1 #Up
26 17 23 1 #Down
27 16 24 1 #Down
28 7 25 1 #Down
29 23 26 1
30 26 24 1
31 26 27 1
32 26 28 1
33 17 29 1 #Up
34 29 30 2
35 29 31 1
36 31 32 1
37 32 33 1
38 33 34 1
39 33 35 2
40 36 37 1
41 37 34 1
42 34 36 1
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