ATOM 34
1 C1y C 15.5266 -18.1203
2 C1y C 16.6331 -17.4319
3 C1y C 14.2882 -17.4441
4 C1x C 15.5338 -19.4723
5 C1z C 16.6392 -16.0737
6 C1x C 18.9841 -17.4447
7 C1z C 13.1250 -18.1262
8 C1x C 14.2747 -16.0920
9 C1x C 14.2943 -20.1360
10 C1y C 17.8146 -15.3977
11 C1y C 15.4516 -15.4036
12 C1a C 16.6649 -14.6603
13 C1x C 18.9841 -16.0859
14 C1y C 13.1250 -19.4661
15 C1x C 11.9616 -17.4622
16 C1a C 13.1189 -16.8045
17 C1c C 17.7509 -13.5237
18 O1a O 15.3315 -14.1144
19 C1x C 11.9616 -20.1422
20 C1x C 10.8166 -18.1262
21 C1b C 18.9658 -12.8597
22 C1a C 16.6073 -12.5799
23 C1y C 10.8166 -19.4661
24 C1b C 20.1109 -13.5297
25 O1a O 9.6655 -20.1239
26 C5a C 21.2620 -12.8720
27 N1b N 22.4070 -13.5358
28 O5a O 21.2686 -11.5442
29 C1b C 23.5912 -12.8610
30 C1b C 24.7870 -13.5513
31 S4a S 26.1849 -13.5513
32 O1d O 26.1849 -14.9492
33 O1d O 26.1849 -12.1534
34 O1d O 27.5828 -13.5513
BOND 37
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 5 12 1 #Up
12 6 13 1
13 7 14 1
14 7 15 1
15 7 16 1 #Up
16 10 17 1
17 11 18 1 #Down
18 14 19 1
19 15 20 1
20 17 21 1
21 17 22 1 #Down
22 19 23 1
23 21 24 1
24 23 25 1 #Down
25 24 26 1
26 26 27 1
27 26 28 2
28 8 11 1
29 9 14 1
30 10 13 1
31 20 23 1
32 27 29 1
33 29 30 1
34 30 31 1
35 31 32 2
36 31 33 2
37 31 34 1
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