ATOM 21
1 N1x N 27.2820 -17.8650
2 C1z C 28.6831 -17.8650
3 O2x O 29.6758 -18.8505
4 C1x C 29.6758 -20.2516
5 C1x C 28.6831 -21.2443
6 C2y C 27.2820 -21.2443
7 C1z C 26.2963 -20.2516
8 C5x C 26.2963 -18.8505
9 O5x O 25.0162 -18.3199
10 O1a O 25.0297 -20.7734
11 N1x N 27.6486 -20.6139
12 C5x C 27.2862 -19.2617
13 O5x O 28.7085 -19.2740
14 C2a C 26.7589 -22.5012
15 C1c C 29.9124 -17.1500
16 C1d C 31.1249 -17.8500
17 C1b C 32.3373 -17.1500
18 O1a O 33.5497 -17.8500
19 O1a O 29.9102 -15.7501
20 C1a C 32.1148 -18.8399
21 O1a O 30.7049 -19.0624
BOND 22
1 1 2 1
2 2 3 1 #Up
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 1 1
9 8 9 2
10 7 10 1
11 7 11 1 #Down
12 11 12 1
13 12 2 1
14 12 13 2
15 6 14 2
16 2 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 15 19 1 #Up
21 16 20 1 #Up
22 16 21 1 #Down
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