ATOM 19
1 C1y C 26.7049 -16.5326
2 C1y C 27.2942 -15.2607
3 C1x C 25.3279 -16.8536
4 C2y C 27.7318 -17.4895
5 C1x C 26.6874 -13.9946
6 O7x O 28.6886 -15.4299
7 C1z C 24.2192 -15.9783
8 C7x C 28.9570 -16.8069
9 C2a C 27.5626 -18.8724
10 C1y C 25.3162 -13.6971
11 C1y C 24.2192 -14.5839
12 C1x C 23.0115 -16.6727
13 C1a C 24.2135 -17.3729
14 O6a O 30.2232 -17.3963
15 C1a C 25.3045 -12.2967
16 C1x C 23.0115 -13.8837
17 O7x O 21.8037 -15.9783
18 C7x C 21.8037 -14.5839
19 O6a O 20.5901 -13.8837
BOND 21
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 1
8 4 9 2
9 5 10 1
10 7 11 1
11 7 12 1
12 7 13 1 #Up
13 8 14 2
14 10 15 1 #Down
15 11 16 1
16 12 17 1
17 16 18 1
18 18 19 2
19 6 8 1
20 10 11 1
21 17 18 1
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