ATOM 25
1 C1y C 21.8205 -15.4172
2 C1y C 21.8381 -16.8237
3 C1y C 20.5772 -14.9328
4 C1b C 23.0520 -14.6410
5 C5x C 20.4781 -17.1973
6 C2b C 23.0520 -17.5124
7 C1x C 19.7018 -16.0241
8 O1a O 20.1922 -13.5670
9 C1b C 24.3069 -15.2596
10 O5x O 19.9820 -18.5222
11 C2b C 24.2544 -16.8063
12 C1b C 25.4683 -14.4834
13 C1c C 25.4683 -17.4950
14 C1b C 26.7173 -15.1020
15 C1b C 26.6765 -16.7946
16 O1a O 25.4626 -18.9132
17 C1b C 27.8787 -14.3258
18 C1b C 27.8963 -17.4833
19 C1b C 29.1336 -14.9387
20 C1b C 29.0986 -16.7889
21 C6a C 30.2951 -14.1623
22 C1b C 30.3068 -17.4776
23 O6a O 31.5442 -14.7809
24 O6a O 30.2018 -12.7732
25 C1a C 31.5209 -16.7829
BOND 25
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 2 6 1 #Up
6 3 7 1
7 3 8 1 #Down
8 4 9 1
9 5 10 2
10 6 11 2
11 9 12 1
12 11 13 1
13 12 14 1
14 13 15 1
15 13 16 1 #Down
16 14 17 1
17 15 18 1
18 17 19 1
19 18 20 1
20 19 21 1
21 20 22 1
22 21 23 1
23 21 24 2
24 22 25 1
25 5 7 1
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