ATOM 22
1 C1c C 27.5676 -16.1828
2 O7a O 26.3601 -16.8826
3 C1b C 28.7810 -16.8769
4 C1b C 27.5676 -14.7885
5 C7a C 25.1584 -16.1944
6 N1d N 28.7866 -18.2709 #+
7 C6a C 28.7692 -14.0827
8 C1b C 23.9509 -16.8885
9 O6a O 25.1526 -14.7944
10 C1a C 30.0638 -18.8956
11 C1a C 27.5793 -18.9709
12 C1a C 29.2096 -19.7175
13 O6a O 29.9825 -14.7768 #-
14 O6a O 28.7692 -12.6884
15 C1b C 22.7493 -16.2002
16 C1b C 21.5417 -16.9002
17 C1b C 20.3342 -16.2059
18 C1b C 19.1326 -16.9059
19 C1b C 17.9251 -16.2118
20 C1b C 16.7176 -16.9118
21 C1b C 15.5158 -16.2236
22 C1a C 14.3083 -16.9176
BOND 21
1 1 2 1 #Down
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 5 8 1
8 5 9 2
9 6 10 1
10 6 11 1
11 6 12 1
12 7 13 1
13 7 14 2
14 8 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 21 22 1
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