ATOM 21
1 C1y C 17.4300 -19.7400
2 C1y C 17.4300 -21.1400
3 C1y C 18.6424 -21.8400
4 C1y C 19.8549 -21.1400
5 O2x O 19.8549 -19.7400
6 C1y C 18.6424 -19.0400
7 C1b C 18.6424 -17.6402
8 O2a O 21.0860 -21.8510
9 O1a O 16.2176 -21.8400
10 O1a O 16.2176 -19.0400
11 O1a O 18.6424 -23.2398
12 O1a O 17.4132 -16.9303
13 C8y C 22.2912 -21.1553
14 C8y C 23.4735 -21.8381
15 N4x N 24.6860 -21.1383
16 C8y C 24.6862 -19.7383
17 N4x N 23.5038 -19.0555
18 C8y C 22.2913 -19.7553
19 N1a N 23.4734 -23.2398
20 O5x O 25.9156 -19.0284
21 O5x O 21.0489 -19.0378
BOND 22
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 6 7 1 #Up
8 4 8 1 #Up
9 2 9 1 #Up
10 1 10 1 #Down
11 3 11 1 #Down
12 7 12 1
13 8 13 1
14 13 14 2
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 13 18 1
20 14 19 1
21 16 20 2
22 18 21 2
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