ATOM 22
1 C8y C 26.5301 -15.9694
2 C8y C 27.7472 -15.2705
3 C8y C 26.5358 -17.3668
4 C8y C 25.3189 -15.2705
5 C1y C 28.9584 -15.9694
6 C8y C 27.7529 -13.8613
7 C8y C 27.7413 -18.0656
8 C8x C 25.3363 -18.0599
9 C8y C 25.3189 -13.8670
10 O2x O 23.9853 -15.7073
11 C1x C 28.9584 -17.3668
12 N1x N 30.1871 -15.2763
13 C8x C 26.5358 -13.1565
14 C1x C 28.9759 -13.1625
15 C8x C 27.7413 -19.4575
16 C8x C 25.3306 -19.4516
17 O2x O 23.9853 -13.4419
18 C1x C 23.1642 -14.5717
19 C1x C 30.1930 -13.8729
20 C8y C 26.5301 -20.1504
21 O2a O 26.5301 -21.5480
22 C1a C 25.3235 -22.2446
BOND 26
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 2
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 2
13 6 14 1
14 7 15 1
15 8 16 2
16 9 17 1
17 10 18 1
18 12 19 1
19 15 20 2
20 20 21 1
21 7 11 1
22 9 13 1
23 14 19 1
24 16 20 1
25 17 18 1
26 21 22 1
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