ATOM 22
1 C8y C 26.1080 -15.9956
2 C8y C 24.8921 -16.6972
3 C8y C 26.1139 -14.5985
4 C8y C 27.3181 -16.6972
5 C8y C 23.6760 -16.0016
6 O2a O 24.8978 -18.1062
7 C8x C 24.8921 -13.8853
8 O2x O 27.3298 -13.8970
9 C8x C 28.5340 -16.0073
10 O5x O 27.3124 -18.1062
11 C8y C 23.6819 -14.5868
12 C1x C 22.3314 -16.4342
13 C1a C 23.6819 -18.8135
14 C8y C 28.5400 -14.6043
15 O2x O 22.3314 -14.1424
16 C1y C 21.5014 -15.2883
17 C1b C 29.7559 -13.9087
18 C1d C 20.0983 -15.2824
19 O1a O 30.9720 -14.6160
20 C1a C 19.3908 -14.0665
21 C1a C 19.3908 -16.4985
22 O1a O 18.8473 -15.3058
BOND 24
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 4 10 2
10 5 11 1
11 5 12 1
12 6 13 1
13 8 14 1
14 11 15 1
15 12 16 1
16 14 17 1
17 16 18 1 #Up
18 17 19 1
19 18 20 1
20 18 21 1
21 18 22 1
22 7 11 2
23 9 14 2
24 15 16 1
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