ATOM 22
1 C1x C 20.7900 -15.5400
2 C1y C 20.7900 -16.9400
3 C1y C 21.9800 -17.6400
4 C1y C 23.2400 -16.9400
5 C2x C 23.2400 -15.5400
6 C2y C 21.9800 -14.8400
7 N1b N 21.9800 -19.0400
8 C5a C 20.7900 -19.7400
9 O5a O 19.6000 -19.0400
10 C1a C 20.7900 -21.1400
11 N1a N 19.6000 -17.6400
12 O2a O 24.4300 -17.6400
13 C1c C 25.7600 -16.9400
14 C1b C 26.9500 -17.6400
15 C1a C 28.1400 -16.9400
16 C1b C 25.7600 -15.5400
17 C1a C 26.9500 -14.8400
18 C7a C 21.9800 -13.4400
19 O6a O 20.7900 -12.7400
20 O7a O 23.1700 -12.7400
21 C1b C 24.3600 -13.4400
22 C1a C 25.6200 -12.7400
BOND 22
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 2
6 1 6 1
7 3 7 1 #Down
8 7 8 1
9 8 9 2
10 8 10 1
11 2 11 1 #Up
12 4 12 1 #Up
13 12 13 1
14 13 14 1
15 14 15 1
16 13 16 1
17 16 17 1
18 6 18 1
19 18 19 2
20 18 20 1
21 20 21 1
22 21 22 1
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