ATOM 17
1 C2y C 26.7400 -21.4900
2 C1z C 26.7400 -20.0900
3 C1y C 25.4100 -19.6700
4 C1y C 24.5700 -20.7900
5 C2y C 25.4100 -21.9100
6 C5x C 27.9300 -22.1900
7 C8y C 29.1900 -21.4900
8 C8y C 29.1900 -20.0900
9 C1x C 27.9300 -19.3900
10 C8y C 30.5200 -21.9100
11 C8x C 31.2900 -20.7900
12 O2x O 30.5200 -19.6700
13 C1x C 23.8700 -19.6000
14 O5x O 27.9300 -23.5900
15 C1a C 26.7400 -18.6900
16 C1a C 24.9820 -23.2430
17 C1a C 30.9754 -23.2339
BOND 20
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 2
6 1 6 1
7 6 7 1
8 7 8 2
9 8 9 1
10 2 9 1
11 7 10 1
12 10 11 2
13 11 12 1
14 8 12 1
15 3 13 1 #Up
16 4 13 1 #Up
17 6 14 2
18 2 15 1 #Up
19 5 16 1
20 10 17 1
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