ATOM 40
1 O2a O 26.6036 -20.1262
2 O2x O 25.4194 -22.2973
3 C1y C 25.4194 -23.6778
4 C1y C 26.6160 -24.3610
5 C1y C 27.8126 -23.6778
6 C1y C 27.8126 -22.2973
7 C1y C 26.6160 -21.6002
8 C6a C 24.2263 -24.3617
9 O6a O 23.0252 -23.6791 #-
10 O6a O 24.2270 -25.7422
11 O1a O 26.6178 -25.7415
12 O1a O 29.0066 -24.3602
13 O1a O 29.0066 -21.6010
14 C1y C 27.7869 -16.6776
15 C1y C 28.9887 -15.9827
16 C1y C 26.6024 -15.9886
17 C1x C 27.7869 -18.0484
18 C1z C 29.0063 -14.6292
19 C1x C 31.3856 -15.9419
20 C1z C 25.3945 -16.6776
21 C1x C 26.6024 -14.6116
22 C1y C 26.6024 -18.7246
23 C1y C 30.1779 -13.9822
24 C1x C 27.7869 -13.9355
25 C1a C 29.0237 -13.2641
26 C1x C 31.3273 -14.6642
27 C1y C 25.3829 -18.0310
28 C1x C 24.2160 -15.9886
29 C1a C 25.3945 -15.2949
30 C1c C 30.2012 -12.6172
31 C1x C 24.1986 -18.7072
32 C1x C 23.0083 -16.6776
33 C1b C 31.3915 -11.9456
34 C1a C 29.0179 -11.6133
35 C1y C 23.0607 -18.0310
36 C1b C 32.5643 -12.6522
37 O1a O 21.7829 -18.7072
38 C6a C 33.7604 -11.9875
39 O6a O 34.9331 -12.6870
40 O6a O 33.7078 -10.6224
BOND 44
1 5 6 1
2 6 7 1
3 7 2 1
4 3 8 1 #Up
5 8 9 1
6 8 10 2
7 4 11 1 #Down
8 5 12 1 #Up
9 6 13 1 #Down
10 7 1 1 #Up
11 2 3 1
12 3 4 1
13 4 5 1
14 14 15 1
15 14 16 1
16 14 17 1
17 15 18 1
18 15 19 1
19 16 20 1
20 16 21 1
21 17 22 1
22 18 23 1
23 18 24 1
24 18 25 1 #Up
25 19 26 1
26 20 27 1
27 20 28 1
28 20 29 1 #Up
29 23 30 1
30 27 31 1
31 28 32 1
32 30 33 1
33 30 34 1 #Down
34 31 35 1
35 33 36 1
36 35 37 1 #Down
37 36 38 1
38 38 39 1
39 38 40 2
40 21 24 1
41 22 27 1
42 23 26 1
43 32 35 1
44 22 1 1 #Down
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