ATOM 43
1 C2y C 24.6688 -17.8248
2 C2b C 25.8703 -17.1401
3 N1y N 24.6688 -19.2234
4 N2x N 23.4674 -17.1341
5 C2b C 27.0773 -17.8364
6 C1x C 23.4674 -19.9256
7 C1a C 25.8819 -19.9256
8 C1x C 22.2545 -17.8248
9 C8y C 28.2787 -17.1457
10 C1x C 22.2545 -19.2234
11 C8x C 28.3088 -15.7562
12 S2x S 29.5957 -17.5969
13 C8x C 29.6349 -15.3437
14 C8x C 30.4381 -16.4827
15 C8x C 31.3566 -18.5432
16 C8x C 31.3566 -19.9131
17 C8x C 32.5428 -20.5980
18 C8x C 33.7293 -19.9131
19 C8y C 33.7293 -18.5432
20 C8y C 32.5428 -17.8584
21 C8y C 34.9155 -17.8584
22 C8y C 34.9155 -16.4885
23 C8y C 33.7293 -15.8036
24 C8x C 32.5428 -16.4885
25 C1b C 36.7887 -18.6814
26 C8y C 38.3704 -17.8683
27 C8y C 39.5316 -18.5388
28 C8y C 40.7180 -17.8537
29 C8x C 40.7180 -16.4839
30 C8y C 39.5566 -15.8136
31 C8y C 38.3703 -16.4985
32 C8x C 39.5316 -19.9086
33 C8x C 40.7181 -20.5934
34 C8x C 41.9044 -19.9085
35 C8x C 41.9044 -18.5387
36 C6a C 33.7293 -14.4339
37 O6a O 34.9340 -13.7383
38 O6a O 32.5614 -13.7596
39 C6a C 39.5564 -14.4338
40 O6a O 38.3844 -13.7573
41 O6a O 40.7571 -13.7404
42 O1a O 36.1038 -15.8024
43 O1a O 37.1590 -15.7991
BOND 47
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 3 6 1
6 3 7 1
7 4 8 1
8 5 9 1
9 6 10 1
10 9 11 2
11 9 12 1
12 11 13 1
13 12 14 1
14 8 10 1
15 13 14 2
16 15 16 2
17 16 17 1
18 17 18 2
19 18 19 1
20 19 20 2
21 15 20 1
22 19 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 20 24 1
27 21 25 1
28 25 26 1
29 26 27 1
30 27 28 2
31 28 29 1
32 29 30 2
33 30 31 1
34 26 31 2
35 27 32 1
36 32 33 2
37 33 34 1
38 34 35 2
39 28 35 1
40 23 36 1
41 36 37 2
42 36 38 1
43 30 39 1
44 39 40 2
45 39 41 1
46 22 42 1
47 31 43 1
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