ATOM 27
1 C8y C 19.9500 -12.4600
2 C8y C 19.9500 -13.8600
3 C1y C 21.1624 -14.5600
4 N1y N 22.3749 -13.8600
5 C1x C 22.3749 -12.4600
6 C1x C 21.1624 -11.7600
7 C8x C 18.7376 -11.7600
8 C8y C 17.5251 -12.4600
9 C8y C 17.5251 -13.8600
10 C8y C 18.7376 -14.5600
11 C1x C 21.7551 -15.9123
12 C1x C 21.0551 -17.1247
13 C1a C 23.6060 -14.5710
14 O1a O 16.1728 -14.2223
15 C8y C 18.4576 -16.3100
16 C8y C 19.4475 -17.2999
17 C8y C 17.1053 -16.6723
18 C8y C 16.7430 -18.0246
19 C8y C 17.7329 -19.0146
20 C8x C 19.0852 -18.6522
21 O2a O 15.8929 -15.9723
22 O1a O 17.3630 -20.3963
23 O2a O 15.3877 -18.3879
24 C1a C 15.0254 -19.7402
25 C1a C 14.5406 -16.3346
26 O2a O 16.2940 -11.7490
27 C1a C 16.2940 -10.3490
BOND 30
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 2
8 7 8 1
9 8 9 2
10 9 10 1
11 10 2 2
12 11 3 1
13 11 12 1
14 4 13 1
15 9 14 1
16 10 15 1
17 15 16 2
18 16 12 1
19 15 17 1
20 17 18 2
21 18 19 1
22 19 20 2
23 20 16 1
24 17 21 1
25 19 22 1
26 18 23 1
27 23 24 1
28 21 25 1
29 8 26 1
30 26 27 1
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