ATOM 25
1 C1y C 21.7797 -14.9852
2 C1y C 21.7743 -16.3808
3 C1y C 20.4767 -14.5046
4 C1b C 22.9496 -13.8559
5 C5x C 20.3782 -16.7514
6 C2b C 22.9264 -17.0701
7 C1x C 19.6080 -15.5933
8 O1a O 20.0945 -13.1494
9 C2b C 24.1889 -14.4639
10 O5x O 19.8860 -18.0719
11 C2b C 24.1253 -16.3692
12 C2b C 25.5731 -14.4639
13 C1c C 25.3297 -17.0468
14 C1b C 26.7717 -13.7632
15 C1b C 26.5285 -16.3520
16 O1a O 25.3240 -18.4541
17 C1b C 27.9764 -14.2712
18 C2b C 27.7389 -17.0410
19 C1b C 29.1693 -13.5646
20 C6a C 30.3739 -14.0727
21 O6a O 31.5727 -13.3661
22 O6a O 30.3856 -15.4567
23 C2b C 29.1343 -17.0358
24 C1b C 30.3964 -16.1944
25 C1a C 31.6118 -16.8956
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 2
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 19 20 1
20 20 21 1
21 20 22 2
22 5 7 1
23 18 23 2
24 23 24 1
25 24 25 1
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