ATOM 20
1 C1y C 21.5668 -14.4961
2 C1y C 22.9663 -14.4553
3 C1y C 21.1061 -15.8140
4 O2x O 20.1905 -14.7702
5 C1z C 23.3629 -15.8606
6 C1y C 23.7711 -13.3707
7 C1y C 22.2199 -16.6538
8 C1y C 24.6634 -16.3913
9 C1a C 23.3512 -17.2545
10 C1x C 25.1648 -13.3416
11 C1a C 23.0830 -12.1578
12 O1a O 22.1965 -18.0533
13 C1y C 25.8936 -15.7032
14 O1a O 24.6574 -17.7792
15 C1y C 26.1037 -14.3096
16 C2y C 27.1534 -16.3330
17 O7x O 27.4916 -14.0821
18 C7x C 28.1388 -15.3300
19 C2a C 27.3808 -17.7092
20 O6a O 29.5209 -15.5400
BOND 23
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 5 8 1
8 5 9 1 #Up
9 6 10 1
10 6 11 1 #Down
11 7 12 1 #Up
12 8 13 1
13 8 14 1 #Down
14 10 15 1
15 13 16 1
16 15 17 1
17 16 18 1
18 16 19 2
19 18 20 2
20 3 4 1
21 5 7 1
22 13 15 1
23 17 18 1
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