ATOM 20
1 C1z C 31.7209 -18.0718
2 C1y C 30.3154 -18.0718
3 O2x O 31.0093 -16.8471
4 C3b C 31.7092 -19.4949
5 C1b C 32.9398 -18.7893
6 C1b C 29.0905 -18.7776
7 N3a N 31.7034 -20.9122
8 O1a O 34.1645 -18.0835
9 O2a O 27.8658 -18.0718
10 C1y C 26.6352 -18.7659
11 O2x O 25.4162 -18.1011
12 C1y C 26.6528 -20.1598
13 C1y C 24.2265 -18.8067
14 C1y C 25.4805 -20.8713
15 O1a O 27.8600 -20.8363
16 C1y C 24.1916 -20.1948
17 C1b C 22.9959 -18.1361
18 O1a O 25.4805 -22.2536
19 O1a O 23.0484 -20.9063
20 O1a O 21.8237 -18.8417
BOND 21
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Either
5 2 6 1 #Either
6 4 7 3
7 5 8 1
8 6 9 1
9 10 9 1 #Up
10 10 11 1
11 10 12 1
12 11 13 1
13 12 14 1
14 12 15 1 #Down
15 13 16 1
16 13 17 1 #Up
17 14 18 1 #Up
18 16 19 1 #Down
19 17 20 1
20 2 3 1
21 14 16 1
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