ATOM 20
1 C8y C 29.8624 -19.0688
2 N4y N 28.6885 -18.3038
3 C8y C 30.9485 -18.1986
4 N4x N 30.0726 -20.4414
5 C1y C 27.4796 -19.0046
6 C8x C 29.0623 -16.9547
7 N5x N 30.4581 -16.9605
8 C8y C 32.2452 -18.7010
9 C8y C 31.3633 -20.9435
10 O2x O 26.3349 -18.1812
11 C1y C 27.0357 -20.3419
12 N5x N 32.4554 -20.0733
13 N1a N 33.2380 -17.6965
14 O5x O 31.7254 -22.2927
15 C1y C 25.1961 -19.0046
16 C1y C 25.6341 -20.3419
17 O1a O 28.0285 -21.3349
18 C1b C 23.9814 -18.2981
19 O1a O 24.6296 -21.3349
20 O1a O 22.7666 -18.9987
BOND 22
1 1 2 1
2 1 3 2
3 1 4 1
4 5 2 1 #Up
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 8 12 2
12 8 13 1
13 9 14 2
14 10 15 1
15 11 16 1
16 11 17 1 #Down
17 15 18 1 #Up
18 16 19 1 #Down
19 18 20 1
20 6 7 2
21 9 12 1
22 15 16 1
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