ATOM 17
1 C1z C 28.6297 -19.7050
2 C1y C 29.8477 -20.3987
3 C1y C 29.8477 -18.9999
4 C1b C 27.4175 -20.3987
5 C1a C 27.4175 -19.0057
6 C2x C 31.0658 -21.0980
7 C1x C 31.0658 -18.2947
8 C1b C 26.2112 -19.6876
9 C2y C 32.2779 -20.3987
10 C1x C 32.2779 -18.9999
11 C2b C 24.9931 -20.3753
12 C1b C 33.4786 -21.0864
13 C2c C 23.7925 -19.6643
14 O1a O 34.6907 -20.3927
15 C1b C 22.5744 -20.3578
16 C1a C 23.8041 -18.2656
17 O1a O 21.3680 -19.6467
BOND 18
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 1 5 1 #Up
5 2 6 1
6 3 7 1
7 4 8 1
8 6 9 2
9 7 10 1
10 8 11 1
11 9 12 1
12 11 13 2
13 12 14 1
14 13 15 1
15 13 16 1
16 15 17 1
17 2 3 1
18 9 10 1
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