ATOM 20
1 C1y C 15.1900 -21.1400
2 C1y C 15.6100 -22.4700
3 C1x C 17.0100 -22.4700
4 C1y C 17.4300 -21.1400
5 O2x O 16.3100 -20.3000
6 C1b C 14.0000 -20.4400
7 O1a O 12.7400 -21.1400
8 N4y N 18.6200 -20.4400
9 C8y C 19.7400 -21.2800
10 C8y C 20.8600 -20.4400
11 N5x N 20.4400 -19.1100
12 C8x C 19.0400 -19.1100
13 N5x N 19.9500 -22.6100
14 C8y C 21.2100 -23.1700
15 N5x N 22.3300 -22.4000
16 C8y C 22.1900 -21.0000
17 N1a N 21.3387 -24.5641
18 O2a O 23.3163 -20.1685
19 C1a C 24.5912 -20.7244
20 O1a O 14.7824 -23.5992
BOND 22
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 1 6 1 #Up
7 6 7 1
8 4 8 1 #Up
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 8 12 1
14 9 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 10 16 1
19 14 17 1
20 16 18 1
21 18 19 1
22 2 20 1 #Down
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