ATOM 18
1 C1z C 24.2345 -14.5925
2 C1y C 24.2287 -15.9968
3 C1x C 25.4457 -13.9021
4 C1x C 23.0233 -13.8963
5 C1a C 24.2228 -13.1941
6 C1x C 25.4340 -16.6989
7 C2y C 23.0233 -16.6931
8 C1y C 26.6569 -14.6042
9 C1y C 21.8064 -14.5925
10 C1y C 26.6569 -16.0085
11 C1x C 21.8064 -15.9968
12 C2a C 23.0293 -18.0974
13 O7x O 27.9909 -14.1771
14 O1a O 20.5952 -13.8963
15 C2y C 27.9909 -16.4473
16 C7x C 28.8159 -15.3123
17 C2a C 28.4182 -17.7755
18 O6a O 30.2144 -15.3123
BOND 20
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 1
8 4 9 1
9 6 10 1
10 7 11 1
11 7 12 2
12 8 13 1
13 9 14 1 #Down
14 10 15 1
15 13 16 1
16 15 17 2
17 16 18 2
18 8 10 1
19 9 11 1
20 15 16 1
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