ATOM 20
1 C1z C 28.1635 -20.5921
2 C8y C 29.3780 -19.8857
3 N1x N 26.9492 -19.8857
4 C1b C 28.1518 -21.9817
5 C6a C 29.3780 -21.2811
6 C8y C 29.3780 -18.4845
7 N4x N 30.7149 -20.3178
8 C1y C 26.9549 -18.4845
9 C1b C 26.9375 -22.6766
10 O6a O 29.3721 -22.8223
11 O6a O 30.7092 -21.2753
12 C1x C 28.1694 -17.7898
13 N5x N 30.7091 -18.0524
14 C8x C 31.5381 -19.1851
15 C6a C 25.7463 -17.7664
16 C6a C 25.7347 -21.9817
17 O6a O 24.5320 -18.4554
18 O6a O 25.7639 -16.3652
19 O6a O 24.5203 -22.6766
20 O6a O 25.7289 -20.7847
BOND 21
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 1 5 1 #Up
5 2 6 2
6 2 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 2
11 6 12 1
12 6 13 1
13 7 14 1
14 8 15 1 #Down
15 9 16 1
16 15 17 1
17 15 18 2
18 16 19 1
19 16 20 2
20 8 12 1
21 13 14 2
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