ATOM 17
1 C2y C 27.6500 -20.4400
2 C1y C 28.8400 -19.8800
3 C1y C 30.0300 -20.4400
4 C1x C 30.3100 -21.6300
5 C1z C 27.3700 -21.6300
6 C1x C 29.4700 -22.6800
7 C1y C 28.2100 -22.6800
8 C2y C 26.6700 -19.7400
9 C5x C 25.6900 -20.5800
10 C1x C 26.0400 -21.6300
11 C1a C 26.6000 -18.4100
12 C1a C 27.6500 -23.8700
13 C1z C 29.0500 -21.6300
14 C1a C 30.8000 -22.6100
15 C1a C 29.0500 -23.5900
16 O5x O 24.3600 -20.1600
17 O1a O 28.8400 -18.4800
BOND 19
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 #Up
14 3 13 1 #Down
15 5 13 1
16 13 14 1
17 13 15 1
18 9 16 2
19 2 17 1 #Up
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