ATOM 41
1 C1y C 27.1182 -19.6116
2 C8y C 25.9172 -18.9063
3 C8y C 28.3306 -18.9120
4 C1y C 27.1182 -21.0107
5 C8y C 25.9231 -17.5071
6 C8x C 24.7104 -19.6058
7 C8y C 28.3423 -17.5129
8 C8x C 29.5374 -19.6173
9 O2x O 25.9114 -21.7044
10 C1y C 28.3306 -21.7103
11 C8y C 24.7104 -16.8016
12 C5x C 27.1298 -16.8076
13 C8x C 23.4920 -18.9063
14 C8y C 29.5607 -16.8250
15 C8y C 30.8258 -18.9353
16 C1y C 25.9055 -23.1094
17 C1y C 28.3306 -23.1152
18 O1a O 29.5491 -21.0048
19 O2a O 24.7104 -15.3968
20 C8x C 23.4920 -17.5071
21 O5x O 27.1356 -15.4025
22 C8x C 30.7675 -17.5362
23 O1a O 29.5724 -15.4201
24 C1b C 31.9625 -19.6407
25 C1y C 27.1122 -23.8090
26 C1b C 24.6930 -23.8031
27 O1a O 29.5431 -23.8147
28 C1y C 23.4979 -14.6972
29 O1a O 33.1867 -18.9587
30 O1a O 27.1122 -25.2079
31 O2x O 23.5037 -13.3040
32 C1y C 22.2912 -15.4025
33 C1y C 22.2912 -12.5985
34 C1y C 21.0728 -14.7029
35 O1a O 22.2912 -16.8016
36 C1y C 21.0785 -13.2981
37 C1b C 22.2912 -11.1941
38 O1a O 19.8603 -15.3968
39 O1a O 19.8603 -12.5928
40 O1a O 24.6874 -25.1978
41 O1a O 21.0833 -10.4968
BOND 45
1 2 5 2
2 2 6 1
3 3 7 2
4 3 8 1
5 4 9 1
6 4 10 1
7 5 11 1
8 5 12 1
9 6 13 2
10 7 14 1
11 8 15 2
12 9 16 1
13 10 17 1
14 10 18 1 #Down
15 11 19 1
16 11 20 2
17 12 21 2
18 14 22 2
19 14 23 1
20 15 24 1
21 16 25 1
22 16 26 1 #Up
23 17 27 1 #Up
24 28 19 1 #Up
25 24 29 1
26 25 30 1 #Down
27 28 31 1
28 28 32 1
29 31 33 1
30 32 34 1
31 32 35 1 #Down
32 33 36 1
33 33 37 1 #Up
34 34 38 1 #Up
35 36 39 1 #Down
36 7 12 1
37 13 20 1
38 15 22 1
39 17 25 1
40 34 36 1
41 26 40 1
42 1 2 1
43 37 41 1
44 1 3 1
45 4 1 1
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