ATOM 29
1 C8x C 5.8787 -16.1672
2 C8y C 5.8787 -17.5669
3 C8x C 7.0685 -18.2668
4 C8x C 8.3283 -17.5669
5 C8y C 8.3283 -16.1672
6 C8x C 7.0685 -15.4673
7 C1b C 9.5181 -15.4673
8 C1b C 10.7779 -16.1672
9 C1b C 11.9676 -15.4673
10 C1b C 13.1575 -16.1672
11 C1b C 14.4172 -15.4673
12 C1b C 15.6070 -16.1672
13 C1b C 16.7968 -15.4673
14 C1b C 18.0565 -16.1672
15 C1b C 19.2464 -15.4673
16 C1b C 20.4362 -16.1672
17 C1b C 21.6959 -15.4673
18 C1b C 22.8858 -16.1672
19 C1b C 24.0755 -15.4673
20 C1b C 25.3353 -16.1672
21 C1b C 26.5251 -15.4673
22 C1b C 27.7149 -16.1672
23 O1a O 4.6889 -18.2668
24 C1b C 28.9046 -15.4673
25 C1b C 30.0944 -16.1672
26 C5a C 31.3020 -15.4828
27 S2a S 32.5218 -16.2007
28 O5a O 31.3131 -14.0598
29 R R 33.9218 -16.2007
BOND 29
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 21 22 1
23 2 23 1
24 22 24 1
25 24 25 1
26 25 26 1
27 26 27 1
28 26 28 2
29 27 29 1
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