ATOM 36
1 C2x C 18.0349 -19.9329
2 C5x C 18.0349 -21.3064
3 C2x C 19.2245 -21.9932
4 C2y C 20.4141 -21.3064
5 C1z C 20.4141 -19.9329
6 C2x C 19.2245 -19.2461
7 C1y C 21.6036 -21.9932
8 C1x C 22.7931 -21.3064
9 C1y C 22.7931 -19.9329
10 C1z C 21.6036 -19.2461
11 C1y C 23.9828 -19.2461
12 C1z C 23.9828 -17.8725
13 C1x C 22.7931 -17.1857
14 C1y C 21.6036 -17.8725
15 C1x C 26.3618 -19.2461
16 C1y C 26.3618 -17.8725
17 C1z C 25.1723 -17.1857
18 O2x O 27.7354 -17.8725
19 O2x O 26.4991 -16.8302
20 C1z C 27.8727 -16.8302
21 C1a C 29.2463 -16.8302
22 C1a C 28.2282 -15.5034
23 C5a C 25.1723 -15.2627
24 O5a O 26.3658 -14.5736
25 C1b C 23.9867 -14.5781
26 O7a O 22.8157 -15.2544
27 C7a C 21.6498 -14.5813
28 C1b C 20.4816 -15.2560
29 O6a O 21.6496 -13.2025
30 C1a C 23.9828 -16.4989
31 O1a O 20.4161 -17.1869
32 C1a C 20.4141 -18.5593
33 X F 21.6036 -20.6197
34 X F 21.6036 -23.3668
35 O5x O 16.8454 -21.9932
36 C1a C 19.2922 -14.5693
BOND 40
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 16 18 1 #Down
22 17 19 1 #Down
23 19 20 1
24 20 18 1
25 20 21 1
26 20 22 1
27 17 23 1 #Up
28 23 24 2
29 23 25 1
30 25 26 1
31 26 27 1
32 27 28 1
33 27 29 2
34 12 30 1 #Up
35 14 31 1 #Up
36 5 32 1 #Up
37 10 33 1 #Down
38 7 34 1 #Down
39 2 35 2
40 28 36 1
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