ATOM 22
1 C1y C 27.9991 -21.1598
2 C1y C 29.1829 -20.4666
3 C1y C 26.8214 -20.4789
4 C1x C 28.0114 -22.5215
5 C1z C 29.1891 -19.0987
6 C1x C 31.5505 -20.4089
7 C1z C 25.6559 -21.1658
8 C1x C 26.8090 -19.1172
9 C1x C 26.8336 -23.1901
10 C1y C 30.3729 -18.4179
11 C1x C 27.9928 -18.4240
12 C1a C 29.1605 -17.6307
13 C1x C 31.5567 -19.1109
14 C1y C 25.6559 -22.5152
15 C1x C 24.4843 -20.4974
16 C1a C 25.5987 -19.7101
17 C1b C 30.3790 -17.0868
18 C1x C 24.4843 -23.1962
19 C1x C 23.3251 -21.1658
20 C4a C 31.5382 -16.4182
21 C1x C 23.3251 -22.5152
22 O4a O 32.7881 -17.1401
BOND 25
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 5 12 1 #Up
12 6 13 1
13 7 14 1
14 7 15 1
15 7 16 1 #Up
16 10 17 1 #Up
17 14 18 1
18 15 19 1
19 17 20 1
20 18 21 1
21 8 11 1
22 9 14 1
23 10 13 1
24 19 21 1
25 20 22 2
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