ATOM 20
1 C1z C 27.9019 -21.0283
2 C1z C 27.9019 -19.6268
3 N1y N 26.7632 -21.6647
4 C5x C 29.2274 -21.4545
5 C1x C 28.9414 -21.9568
6 C1y C 29.2274 -19.2006
7 C1y C 26.8625 -18.6866
8 C1x C 26.6173 -19.3520
9 C1x C 27.1311 -23.1712
10 C1x C 25.6070 -21.0340
11 C1x C 30.0566 -20.3333
12 O5x O 29.8694 -22.7392
13 C1x C 28.3807 -23.1654
14 C1x C 29.5195 -17.8341
15 C1x C 27.1604 -17.3261
16 O1a O 25.4553 -18.6809
17 C1x C 25.6070 -19.9768
18 C1z C 28.4918 -16.8999
19 C1a C 29.8348 -16.5319
20 O1a O 27.4874 -15.8955
BOND 23
1 1 2 1
2 1 3 1 #Down
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 2 8 1 #Down
8 3 9 1
9 3 10 1
10 4 11 1
11 4 12 2
12 5 13 1
13 6 14 1
14 7 15 1
15 7 16 1 #Up
16 8 17 1
17 14 18 1
18 18 19 1 #Down
19 18 20 1 #Up
20 6 11 1
21 9 13 1
22 10 17 1
23 15 18 1
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