ATOM 22
1 C1z C 25.1801 -13.0577
2 C1z C 24.8927 -14.4145
3 C1y C 26.5542 -12.9196
4 C1x C 23.8404 -12.7127
5 O2x O 24.8178 -11.7179
6 C1z C 26.0885 -15.0988
7 C1y C 23.6910 -15.0988
8 C1a C 23.6851 -13.4388
9 C1y C 27.1120 -14.1730
10 O2x O 27.9170 -13.0519
11 C1y C 26.0885 -16.4844
12 O1a O 27.2787 -15.7887
13 C1y C 23.6910 -16.4844
14 O1a O 22.3493 -14.5545
15 C1z C 24.8927 -17.1802
16 O7x O 23.7081 -17.7063
17 C2c C 24.8983 -18.5601
18 O1a O 24.8253 -15.8981
19 O6a O 27.1862 -18.4021
20 C1a C 23.9094 -19.5317
21 C2a C 25.8758 -19.5317
22 C7x C 26.0720 -17.7051
BOND 26
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 1 5 1 #Down
5 2 6 1
6 2 7 1
7 2 8 1 #Down
8 3 9 1
9 3 10 1
10 6 11 1
11 6 12 1 #Down
12 7 13 1
13 7 14 1 #Up
14 15 11 1
15 13 16 1 #Up
16 15 17 1 #Down
17 15 18 1 #Up
18 22 19 2
19 17 20 1
20 17 21 2
21 4 5 1
22 6 9 1
23 9 10 1
24 13 15 1
25 22 16 1
26 11 22 1 #Up
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