ATOM 39
1 C8y C 18.2245 -14.2924
2 C1x C 19.6338 -14.2924
3 C1y C 20.6203 -15.2790
4 C1z C 20.6203 -16.6883
5 C1y C 19.6338 -17.6748
6 C8y C 18.2245 -17.6748
7 C8y C 17.2379 -16.6883
8 C8y C 17.2379 -15.2790
9 C8x C 17.8722 -12.9535
10 C8y C 16.4628 -12.6012
11 C8y C 15.4762 -13.5877
12 C8y C 15.8286 -14.9267
13 C8y C 15.8286 -17.0407
14 C8y C 15.4762 -18.4500
15 C8y C 16.4628 -19.4365
16 C8x C 17.8017 -19.0842
17 C1a C 13.4327 -14.9267
18 O2a O 14.6306 -15.6313
19 O2a O 14.6306 -16.6178
20 C1a C 13.4327 -17.3225
21 C1a C 21.8888 -14.7152
22 C1a C 21.8184 -15.9837
23 O1a O 21.3251 -17.8863
24 O7a O 20.1975 -18.9433
25 C7a C 21.3956 -19.6480
26 O6a O 22.5935 -18.9433
27 C8y C 21.3956 -21.0574
28 O2x O 14.2332 -19.0834
29 C1x C 14.4514 -20.4615
30 O2x O 15.8294 -20.6797
31 O2a O 14.1126 -13.2192
32 O2a O 16.0869 -11.2438
33 C1a C 13.4128 -12.0071
34 C1a C 14.8748 -10.5439
35 C8x C 20.1963 -21.7501
36 C8x C 20.1965 -23.1501
37 C8x C 21.4091 -23.8499
38 C8x C 22.6084 -23.1572
39 C8x C 22.6082 -21.7572
BOND 43
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 1 1 #Down
9 1 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 8 12 2
14 7 13 2
15 13 14 1
16 14 15 2
17 15 16 1
18 6 16 2
19 17 18 1
20 18 12 1
21 19 13 1
22 19 20 1
23 3 21 1 #Down
24 4 22 1 #Up
25 4 23 1 #Down
26 5 24 1 #Up
27 24 25 1
28 25 26 2
29 25 27 1
30 14 28 1
31 28 29 1
32 29 30 1
33 15 30 1
34 11 31 1
35 10 32 1
36 31 33 1
37 32 34 1
38 27 35 2
39 35 36 1
40 36 37 2
41 37 38 1
42 38 39 2
43 27 39 1
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