ATOM 22
1 C1y C 27.0475 -19.7828
2 C1y C 25.8817 -19.1148
3 C1y C 28.2197 -19.1026
4 C1x C 27.0291 -21.1795
5 C1z C 24.7218 -19.7950
6 C1x C 25.8695 -17.7605
7 C1z C 28.2256 -17.7484
8 C1x C 30.5637 -19.1086
9 C1x C 25.8877 -21.7989
10 C2y C 24.7218 -21.1309
11 C1x C 23.5801 -19.1391
12 C1a C 24.7036 -18.1673
13 C1x C 27.0415 -17.0804
14 C1y C 29.3977 -17.0744
15 C1a C 28.2255 -16.1363
16 C1x C 30.5637 -17.7605
17 C2x C 23.5618 -21.8050
18 C1x C 22.4203 -19.7950
19 C5x C 22.4203 -21.1309
20 C1x C 29.4321 -19.8026
21 O5x O 21.1852 -21.8359
22 O1a O 29.4047 -15.6800
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 4 9 1
8 5 10 1
9 5 11 1
10 5 12 1 #Up
11 6 13 1
12 7 14 1
13 7 15 1 #Up
14 8 16 1
15 10 17 2
16 11 18 1
17 17 19 1
18 7 13 1
19 9 10 1
20 14 16 1
21 18 19 1
22 3 20 1
23 8 20 1
24 19 21 2
25 14 22 1 #Up
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