ATOM 47
1 C1z C 22.0200 -17.5304
2 C1y C 23.1988 -18.1129
3 C1y C 20.9942 -18.1305
4 O2x O 23.0005 -16.8711
5 C1y C 22.0737 -16.2246
6 C1y C 24.3006 -17.3846
7 C1y C 23.4837 -19.3956
8 C1z C 20.5462 -19.3546
9 C2x C 19.9684 -17.3204
10 C1z C 24.1957 -12.9533
11 C1y C 23.0295 -15.4834
12 C1a C 20.7608 -15.6410
13 C1z C 24.2831 -16.0671
14 O2x O 25.6289 -17.8102
15 C1z C 22.6562 -20.3350
16 O2x O 23.8799 -20.4687
17 C1y C 21.3443 -20.3934
18 C5x C 19.2331 -19.3152
19 O1a O 20.1759 -20.5326
20 C2y C 18.8782 -18.0488
21 O2x O 24.2072 -14.8954
22 C1b C 24.1898 -12.1375
23 O7a O 23.0180 -14.1776
24 C2c C 25.6882 -15.2676
25 C1b C 23.2981 -21.5358
26 O1a O 21.3326 -21.7051
27 O5x O 18.4173 -20.3351
28 C1a C 17.6540 -17.5948
29 C1b C 25.3206 -11.4839
30 C7a C 21.8754 -13.5310
31 C1a C 25.6823 -13.9559
32 C2a C 26.8190 -15.9212
33 O1a O 24.6157 -21.5358
34 C1b C 26.4514 -12.1316
35 C8y C 21.9279 -12.2193
36 O6a O 20.7550 -14.1950
37 C1b C 27.5766 -11.4723
38 C8x C 23.0587 -11.5657
39 C8x C 20.7958 -11.5714
40 C1b C 28.7146 -12.1258
41 C8x C 23.0530 -10.2597
42 C8x C 20.7958 -10.2655
43 C1b C 29.8396 -11.4663
44 C8x C 21.9220 -9.6119
45 C1b C 30.9762 -12.1142
46 C1b C 32.1073 -11.4606
47 C1a C 33.2381 -12.1082
BOND 53
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 1 5 1
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 5 11 1
11 5 12 1 #Down
12 6 13 1
13 6 14 1 #Down
14 7 15 1
15 7 16 1
16 8 17 1
17 8 18 1
18 8 19 1 #Up
19 9 20 2
20 10 21 1
21 10 22 1
22 11 23 1 #Up
23 13 24 1 #Up
24 15 25 1 #Up
25 17 26 1 #Up
26 18 27 2
27 20 28 1
28 22 29 1
29 23 30 1
30 24 31 1
31 24 32 2
32 25 33 1
33 29 34 1
34 30 35 1
35 30 36 2
36 34 37 1
37 35 38 2
38 35 39 1
39 37 40 1
40 38 41 1
41 39 42 2
42 40 43 1
43 41 44 2
44 43 45 1
45 45 46 1
46 46 47 1
47 10 14 1
48 11 13 1
49 13 21 1 #Down
50 15 16 1
51 15 17 1
52 18 20 1
53 42 44 1
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