ATOM 20
1 C1y C 26.0632 -21.4136
2 C1y C 27.2784 -22.1138
3 C1z C 24.8534 -22.1255
4 C1x C 26.0514 -20.0025
5 C1y C 28.4999 -21.4019
6 C5x C 27.2901 -23.5904
7 C1y C 24.8534 -23.5130
8 C1x C 23.6497 -21.4382
9 C1a C 24.8476 -20.7438
10 C1x C 27.2726 -19.2976
11 C1z C 28.5057 -19.9908
12 C1x C 26.0689 -24.2122
13 O5x O 28.4634 -24.3013
14 C1x C 23.6497 -24.2252
15 C1x C 22.4517 -22.1255
16 C1a C 28.4999 -18.6091
17 C1x C 22.4517 -23.5130
18 C1x C 30.9248 -21.4118
19 C1x C 30.9305 -20.0007
20 C1x C 29.7210 -19.2958
BOND 23
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 5 11 1
11 6 12 1
12 6 13 2
13 7 14 1
14 8 15 1
15 11 16 1
16 14 17 1
17 7 12 1
18 10 11 1
19 15 17 1
20 5 18 1
21 18 19 1
22 19 20 1
23 11 20 1
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