ATOM 40
1 C8y C 33.0538 -13.3018
2 C8y C 33.0188 -14.7024
3 C1x C 31.7117 -12.9079
4 C8x C 34.2299 -12.5783
5 C8x C 34.3072 -15.3617
6 O2x O 31.7702 -15.1607
7 C1y C 30.9167 -14.0547
8 C8y C 35.4540 -13.2492
9 C8y C 35.4262 -14.6325
10 C1d C 29.7103 -13.3602
11 C8x C 36.6370 -12.5185
12 O7x O 36.7014 -15.2847
13 O2a O 28.4920 -14.0490
14 C8x C 37.8494 -13.1908
15 C8y C 37.8843 -14.5669
16 C1y C 27.3041 -14.7492
17 O6a O 39.1086 -15.2320
18 O2x O 26.1036 -14.0547
19 C1y C 27.3041 -16.1440
20 C1y C 24.8900 -14.7492
21 C1y C 26.1036 -16.8384
22 O1a O 28.5036 -16.8384
23 C1y C 24.8900 -16.1440
24 C1b C 23.6836 -14.0547
25 O1a O 26.1095 -18.2273
26 O2a O 23.4485 -17.0266
27 O1a O 22.4771 -14.7492
28 C1y C 22.2421 -17.7151
29 O2x O 21.0415 -17.0206
30 C1y C 22.2421 -19.1099
31 C1y C 19.8291 -17.7151
32 C1y C 21.0415 -19.8044
33 O1a O 23.4485 -19.8044
34 C1y C 19.8291 -19.1099
35 C1b C 18.6296 -17.0206
36 O1a O 21.0415 -21.1932
37 O1a O 18.6296 -19.8044
38 O1a O 17.4289 -17.7151
39 C1a C 30.5136 -12.1882
40 C1a C 28.8241 -12.1912
BOND 44
1 1 4 2
2 2 5 2
3 2 6 1
4 3 7 1
5 4 8 1
6 5 9 1
7 7 10 1
8 8 11 1
9 9 12 1
10 10 13 1
11 11 14 2
12 12 15 1
13 16 13 1 #Up
14 15 17 2
15 16 18 1
16 16 19 1
17 18 20 1
18 19 21 1
19 19 22 1 #Down
20 20 23 1
21 20 24 1 #Up
22 21 25 1 #Up
23 23 26 1 #Down
24 24 27 1
25 28 26 1 #Down
26 28 29 1
27 28 30 1
28 29 31 1
29 30 32 1
30 30 33 1 #Down
31 31 34 1
32 31 35 1 #Up
33 32 36 1 #Up
34 34 37 1 #Down
35 35 38 1
36 6 7 1
37 8 9 2
38 14 15 1
39 21 23 1
40 32 34 1
41 1 2 1
42 10 39 1
43 1 3 1
44 10 40 1
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