ATOM 33
1 C2x C 15.0500 -18.5500
2 C5x C 15.0500 -19.9500
3 C2x C 16.2624 -20.6500
4 C2y C 17.4749 -19.9500
5 C1z C 17.4749 -18.5500
6 C2x C 16.2624 -17.8500
7 C1x C 18.6873 -20.6500
8 C1x C 19.8997 -19.9500
9 C1y C 19.8997 -18.5500
10 C1z C 18.6873 -17.8500
11 C1y C 21.1122 -17.8500
12 C1z C 21.1122 -16.4500
13 C1x C 19.8997 -15.7500
14 C1y C 18.6873 -16.4500
15 C1x C 23.5370 -17.8500
16 C1y C 23.5370 -16.4500
17 C1z C 22.3246 -15.7500
18 C5a C 22.3246 -14.3500
19 C1a C 21.1122 -15.0500
20 O1a O 17.4769 -15.7512
21 C1a C 17.4749 -17.1500
22 O5x O 13.8376 -20.6500
23 O5a O 23.5411 -13.6477
24 C1b C 21.1162 -13.6523
25 O1a O 21.1162 -12.2523
26 O2x O 24.9370 -16.4500
27 C1z C 24.9370 -15.0500
28 C1b C 26.3370 -15.0500
29 C1b C 24.9370 -13.6500
30 O2x O 23.5370 -15.0500
31 C1a C 26.1366 -12.9573
32 C1a C 27.0327 -13.8450
33 X F 18.6873 -19.2500
BOND 37
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 17 18 1 #Up
22 12 19 1 #Up
23 14 20 1 #Up
24 5 21 1 #Up
25 2 22 2
26 18 23 2
27 18 24 1
28 24 25 1
29 16 26 1 #Down
30 26 27 1
31 27 28 1
32 27 29 1
33 27 30 1
34 17 30 1 #Down
35 29 31 1
36 28 32 1
37 10 33 1 #Down
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