ATOM 20
1 C8y C 27.9300 -20.2300
2 C8y C 27.9300 -21.6300
3 N5x N 26.7400 -22.3300
4 C8y C 25.4800 -21.6300
5 N4x N 25.4800 -20.2300
6 C8y C 26.7400 -19.5300
7 N4x N 29.2600 -22.0500
8 C8x C 30.1000 -20.9300
9 C8y C 29.2600 -19.8100
10 N1a N 24.2900 -22.3300
11 O5x O 26.7400 -18.1300
12 C1b C 29.6223 -18.4577
13 N1b N 30.9746 -18.0954
14 C1y C 30.9746 -16.6954
15 C2x C 32.0683 -15.9011
16 C2x C 31.6508 -14.6156
17 C1y C 30.2992 -14.6153
18 C1y C 29.8813 -15.9007
19 O1a O 28.5290 -16.2630
20 O1a O 29.3093 -13.6254
BOND 22
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 1
7 2 7 1
8 7 8 1
9 8 9 2
10 1 9 1
11 4 10 1
12 6 11 2
13 9 12 1
14 12 13 1
15 14 13 1 #Down
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 1
20 14 18 1
21 18 19 1 #Up
22 17 20 1 #Up
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