ATOM 21
1 C1y C 17.9199 -15.6798
2 C1y C 19.0990 -14.9968
3 C1y C 16.7584 -14.9968
4 O2a O 17.9257 -17.0281
5 C1y C 19.0990 -13.6427
6 C1y C 16.7584 -13.6427
7 O1a O 15.5909 -15.6798
8 C1c C 17.1903 -18.2189
9 O2x O 17.9199 -12.9599
10 O1a O 20.2780 -12.9599
11 C1b C 15.5909 -12.9599
12 C6a C 15.7952 -18.1780
13 C1a C 17.8557 -19.4504
14 O1a O 14.5578 -13.8471
15 O6a O 15.1357 -16.9463
16 O6a O 15.0597 -19.3629
17 N1b N 20.5928 -15.8364
18 C5a C 21.8021 -15.1371
19 C1b C 22.9836 -15.8180
20 O5a O 21.8021 -13.7371
21 O1a O 24.1960 -15.1180
BOND 21
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 3 6 1
6 3 7 1 #Down
7 4 8 1
8 5 9 1
9 5 10 1 #Either
10 6 11 1 #Up
11 8 12 1
12 8 13 1 #Down
13 11 14 1
14 12 15 1
15 12 16 2
16 6 9 1
17 2 17 1 #Down
18 17 18 1
19 18 19 1
20 18 20 2
21 19 21 1
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