ATOM 31
1 C2x C 18.6472 -24.4292
2 C5x C 18.6472 -25.7894
3 C2x C 19.8251 -26.4694
4 C2y C 21.0030 -25.7894
5 C1z C 21.0030 -24.4292
6 C2x C 19.8251 -23.7492
7 C1y C 22.1809 -26.4694
8 C1x C 23.3588 -25.7894
9 C1y C 23.3588 -24.4292
10 C1z C 22.1809 -23.7492
11 C1y C 24.5367 -23.7492
12 C1z C 24.5367 -22.3891
13 C1x C 23.3588 -21.7091
14 C1y C 22.1809 -22.3891
15 C1x C 26.8924 -23.7492
16 C1x C 26.8924 -22.3891
17 C1z C 25.7145 -21.7091
18 X F 22.1835 -25.1093
19 C1a C 24.5637 -21.0291
20 C5a C 25.7197 -20.3490
21 O1a O 20.9800 -21.6958
22 C1b C 26.9034 -19.6717
23 C1a C 21.0000 -23.0300
24 O1a O 27.0200 -21.3500
25 C1a C 22.1900 -27.8600
26 O5x O 17.4277 -26.4938
27 O5a O 24.4975 -19.6366
28 O7a O 28.0948 -20.3659
29 C7a C 29.2895 -19.6823
30 C1a C 30.4718 -20.3712
31 O6a O 29.2953 -18.2704
BOND 34
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 10 18 1 #Down
22 12 19 1 #Up
23 17 20 1 #Up
24 14 21 1 #Up
25 20 22 1
26 5 23 1 #Up
27 17 24 1 #Down
28 7 25 1 #Down
29 2 26 2
30 20 27 2
31 22 28 1
32 28 29 1
33 29 30 1
34 29 31 2
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