ATOM 24
1 C8y C 28.0449 -16.6272
2 C1y C 29.2544 -17.2299
3 C8y C 26.7998 -17.2533
4 C8y C 28.0678 -15.1652
5 C1x C 29.6468 -18.5861
6 N1y N 30.4530 -16.6496
7 O2x O 26.4956 -18.6211
8 C8y C 25.6368 -16.5515
9 C1x C 29.2479 -14.4872
10 C8x C 26.9046 -14.4648
11 C8y C 28.7867 -19.6848
12 C1x C 30.4759 -15.1875
13 C8y C 27.3779 -19.7023
14 C8x C 25.6538 -15.0836
15 O1a O 24.4080 -17.1656
16 C8x C 29.5065 -20.9008
17 C8x C 26.6886 -20.9242
18 C8y C 28.8102 -22.1282
19 C8y C 27.3954 -22.1457
20 C1a C 31.6253 -17.3967
21 O2a O 26.7117 -23.3562
22 O2a O 29.5235 -23.3256
23 C1a C 27.4137 -24.5562
24 C1a C 28.8371 -24.5385
BOND 27
1 2 6 1
2 3 7 1
3 3 8 2
4 4 9 1
5 4 10 1
6 5 11 1
7 6 12 1
8 7 13 1
9 8 14 1
10 8 15 1
11 11 16 1
12 13 17 1
13 16 18 2
14 17 19 2
15 9 12 1
16 10 14 2
17 11 13 2
18 18 19 1
19 6 20 1
20 1 2 1
21 19 21 1
22 1 3 1
23 18 22 1
24 1 4 2
25 21 23 1
26 2 5 1
27 22 24 1
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