ATOM 36
1 C1y C 24.7095 -20.6970
2 C1y C 23.5118 -21.3806
3 C1z C 24.7270 -19.3300
4 C1x C 27.0813 -20.7262
5 C1y C 22.3318 -20.6796
6 C1y C 23.5118 -22.7534
7 C1y C 25.9188 -18.6523
8 C1x C 23.5351 -18.6289
9 C1a C 24.7154 -17.9513
10 C1x C 27.0872 -19.3593
11 C1z C 21.1342 -21.3689
12 C1x C 22.3435 -19.3066
13 C1x C 22.3202 -23.4311
14 O2a O 24.7094 -23.4428
15 C1c C 25.9304 -17.2794
16 C1y C 21.1283 -22.7417
17 C1x C 19.9483 -20.6736
18 C1a C 21.1225 -19.9902
19 C1b C 27.1280 -16.6075
20 C1a C 24.7504 -16.5784
21 C1x C 19.9483 -23.4311
22 C1x C 18.7507 -21.3689
23 C1b C 28.3256 -17.2852
24 C1y C 18.7507 -22.7417
25 C5a C 29.5116 -16.6018
26 O1a O 17.5646 -23.4311
27 N1b N 30.7033 -17.2852
28 O5a O 29.5116 -15.2231
29 C1b C 31.8892 -16.6018
30 C6a C 33.0810 -17.2852
31 O6a O 34.2670 -16.5958
32 O6a O 33.0810 -18.6641
33 S4a S 26.1094 -23.4428
34 O1d O 27.5094 -23.4428
35 O1d O 26.1094 -24.8428
36 O1d O 26.1094 -22.0428
BOND 39
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 3 9 1 #Up
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 6 14 1 #Down
14 7 15 1
15 11 16 1
16 11 17 1
17 11 18 1 #Up
18 15 19 1
19 15 20 1 #Down
20 16 21 1
21 17 22 1
22 19 23 1
23 21 24 1
24 23 25 1
25 24 26 1 #Down
26 25 27 1
27 25 28 2
28 27 29 1
29 29 30 1
30 30 31 1
31 30 32 2
32 7 10 1
33 8 12 1
34 13 16 1
35 22 24 1
36 14 33 1
37 33 34 2
38 33 35 1
39 33 36 2
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