ATOM 21
1 C1y C 26.9423 -22.3939
2 C2y C 28.2936 -22.7143
3 C8y C 25.8531 -23.2444
4 C1x C 28.1189 -23.5705
5 C1y C 28.8819 -23.9666
6 C2x C 29.0800 -21.5726
7 C8y C 25.8415 -24.6247
8 C8x C 24.6650 -22.5745
9 N1y N 28.2704 -25.2014
10 C1y C 30.2624 -24.0889
11 C1x C 30.4604 -21.6949
12 C1x C 26.9249 -25.5043
13 C8x C 24.6650 -25.3120
14 C8y C 23.4767 -23.2501
15 C1y C 31.0545 -22.9472
16 C8y C 23.4826 -24.6247
17 O2x O 22.1663 -22.8307
18 O1a O 32.4233 -23.0638
19 O2x O 22.1779 -25.0674
20 C1x C 21.3624 -23.9550
21 O1a O 30.8535 -25.3509
BOND 25
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 2 6 2
6 3 7 2
7 3 8 1
8 9 4 1 #Down
9 5 10 1
10 6 11 1
11 7 12 1
12 7 13 1
13 8 14 2
14 10 15 1
15 13 16 2
16 14 17 1
17 15 18 1 #Down
18 16 19 1
19 17 20 1
20 5 9 1
21 9 12 1
22 11 15 1
23 14 16 1
24 19 20 1
25 10 21 1 #Up
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