ATOM 16
1 C2y C 27.0900 -20.4400
2 C1x C 28.2800 -19.8800
3 C1y C 29.4700 -20.4400
4 C1x C 29.7500 -21.7000
5 C1z C 26.8100 -21.7000
6 C1x C 28.9100 -22.7500
7 C1y C 27.6500 -22.7500
8 C2y C 26.1100 -19.7400
9 C5x C 25.0600 -20.5800
10 C1x C 25.4800 -21.7000
11 C1a C 26.0400 -18.4100
12 C1a C 27.0900 -23.9400
13 C1z C 28.4900 -21.7000
14 C1a C 30.3100 -22.6800
15 C1a C 28.4900 -23.6600
16 O5x O 23.7102 -20.2084
BOND 18
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 1 8 2
9 8 9 1
10 9 10 1
11 5 10 1
12 8 11 1
13 7 12 1
14 3 13 1
15 5 13 1
16 13 14 1
17 13 15 1
18 9 16 2
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