ATOM 44
1 C1x C 16.4132 -18.2729
2 C1y C 16.4132 -19.6599
3 C1z C 17.5230 -20.2842
4 C1z C 18.7714 -19.6599
5 C1y C 18.7714 -18.2729
6 C1y C 17.5230 -17.5792
7 C1z C 15.2341 -20.2842
8 C1y C 15.2341 -21.6714
9 C1x C 16.3440 -22.2957
10 C1x C 17.5230 -21.6714
11 C1x C 14.0550 -19.5906
12 C1x C 12.8759 -20.2842
13 C1y C 12.8759 -21.6018
14 C1z C 14.0550 -22.2957
15 O1a O 17.5230 -16.2629
16 C1a C 18.6369 -21.4010
17 C1a C 15.2341 -18.9663
18 O1a O 11.6277 -22.5039
19 C1a C 19.9537 -20.4908
20 C1a C 14.6099 -23.6828
21 C1a C 13.5002 -23.6828
22 C1x C 21.1812 -19.6599
23 C1x C 21.1812 -18.2729
24 C1y C 19.9762 -17.5773
25 C1b C 21.1294 -15.8451
26 C1b C 22.2392 -16.5389
27 C1d C 19.9504 -16.5389
28 C2b C 23.4183 -15.8451
29 C2c C 24.5280 -16.5389
30 C1a C 25.7073 -15.8451
31 O2a O 18.5631 -14.6661
32 C1a C 19.9504 -15.2210
33 C1a C 24.5280 -17.8567
34 C1y C 17.3841 -10.7820
35 C1y C 17.3841 -12.1692
36 C1y C 18.5631 -12.8628
37 O2x O 19.7422 -12.1692
38 C1y C 19.7422 -10.7820
39 C1y C 18.5631 -10.1579
40 O1a O 18.5631 -8.7706
41 O1a O 16.2049 -12.8628
42 O1a O 16.2049 -10.1579
43 C1b C 20.9213 -10.1579
44 O1a O 20.9213 -8.7706
BOND 48
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 2 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 3 10 1
12 7 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 8 14 1
17 6 15 1 #Up
18 3 16 1 #Up
19 7 17 1 #Up
20 13 18 1 #Up
21 4 19 1 #Down
22 14 20 1
23 14 21 1
24 4 22 1
25 22 23 1
26 23 24 1
27 5 24 1
28 25 26 1
29 25 27 1
30 26 28 1
31 28 29 2
32 29 30 1
33 27 31 1 #Up
34 27 32 1 #Down
35 29 33 1
36 34 35 1
37 35 36 1
38 36 37 1
39 37 38 1
40 38 39 1
41 34 39 1
42 39 40 1 #Down
43 35 41 1 #Down
44 34 42 1 #Up
45 38 43 1 #Up
46 43 44 1
47 36 31 1 #Up
48 24 27 1
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