ATOM 24
1 C1y C 27.0937 -20.6085
2 C8y C 25.8727 -19.9134
3 N1y N 28.3089 -19.9251
4 C1x C 27.0762 -22.0106
5 C8y C 25.8786 -18.5113
6 C8x C 24.6693 -20.6145
7 C1x C 29.5065 -20.6319
8 C1x C 28.3147 -18.5230
9 C1y C 28.2913 -22.7176
10 C1x C 27.0996 -17.8103
11 C8y C 24.6693 -17.8045
12 C8y C 23.4484 -19.9134
13 C1y C 29.5648 -22.0340
14 C1b C 28.2738 -24.1138
15 C8y C 23.4484 -18.5113
16 O2a O 22.2333 -20.6145
17 C1b C 30.6982 -22.7408
18 C1b C 29.4655 -24.8148
19 O2a O 22.2333 -17.8045
20 O1a O 30.6807 -24.1371
21 C1a C 31.9137 -22.0509
22 O1a O 24.6597 -16.4031
23 C1a C 21.0206 -18.4995
24 C1a C 21.0230 -19.9153
BOND 26
1 2 6 1
2 3 7 1
3 3 8 1
4 4 9 1
5 5 10 1
6 5 11 1
7 6 12 2
8 7 13 1
9 9 14 1
10 11 15 2
11 12 16 1
12 13 17 1
13 14 18 1
14 15 19 1
15 8 10 1
16 9 13 1
17 12 15 1
18 18 20 1
19 1 2 1
20 17 21 1
21 1 3 1
22 11 22 1
23 1 4 1
24 19 23 1
25 2 5 2
26 16 24 1
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