ATOM 22
1 O1a O 23.6536 -21.6814
2 C1y C 24.8626 -20.9833
3 C1y C 26.0999 -21.6979
4 C1x C 27.3091 -20.9997
5 C1y C 27.3093 -19.6035
6 C1y C 26.0720 -18.8893
7 C1y C 24.8628 -19.5871
8 O1a O 26.0997 -23.0883
9 O1a O 23.6820 -18.9049
10 N1a N 28.5416 -18.8922
11 O2a O 26.0722 -17.5040
12 C1y C 27.2879 -16.8023
13 O2x O 28.4830 -17.4928
14 C1y C 29.6922 -16.7951
15 C1y C 29.6925 -15.3988
16 C1y C 28.4973 -14.7084
17 C1y C 27.2882 -15.4060
18 C1b C 30.9196 -17.5041
19 N1a N 26.0655 -14.6996
20 O1a O 30.9190 -18.9285
21 O1a O 28.4978 -13.2998
22 O1a O 30.8947 -14.7051
BOND 23
1 2 1 1 #Down
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 2 7 1
8 3 8 1 #Up
9 7 9 1 #Up
10 5 10 1 #Up
11 6 11 1 #Down
12 12 11 1 #Down
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 12 17 1
19 14 18 1 #Up
20 17 19 1 #Down
21 18 20 1
22 16 21 1 #Up
23 15 22 1 #Down
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