ATOM 29
1 C1y C 21.4472 -12.3698
2 C1y C 22.6696 -13.0702
3 C1y C 20.2374 -13.0829
4 C1x C 21.4345 -10.9498
5 C1y C 23.8987 -12.3570
6 C1x C 22.6824 -14.4900
7 C1y C 20.2374 -14.4837
8 C1x C 19.0212 -12.3888
9 C1x C 22.6634 -10.2366
10 C1y C 23.9050 -10.9370
11 C1x C 25.2421 -12.7899
12 C1x C 21.4600 -15.1841
13 C1x C 19.0212 -15.1904
14 C1x C 17.8177 -13.0829
15 C1x C 25.2548 -10.5040
16 C1x C 26.0763 -11.6629
17 C1y C 17.8177 -14.4837
18 O2a O 16.6143 -15.1714
19 C1y C 15.4109 -15.8590
20 O2x O 14.2010 -15.1714
21 C1y C 15.4109 -17.2471
22 C1y C 13.0039 -15.8590
23 C1y C 14.2010 -17.9412
24 O1a O 16.6143 -17.9412
25 C1y C 13.0039 -17.2471
26 C1b C 11.8197 -15.1714
27 O1a O 14.2010 -19.3230
28 O1a O 11.8197 -17.9412
29 O1a O 10.7563 -16.0629
BOND 33
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 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 6 12 1
12 7 13 1
13 8 14 1
14 10 15 1
15 11 16 1
16 13 17 1
17 17 18 1 #Up
18 19 18 1 #Up
19 19 20 1
20 19 21 1
21 20 22 1
22 21 23 1
23 21 24 1 #Down
24 22 25 1
25 22 26 1 #Up
26 23 27 1 #Up
27 25 28 1 #Down
28 26 29 1
29 7 12 1
30 9 10 1
31 14 17 1
32 15 16 1
33 23 25 1
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