ATOM 21
1 C1z C 25.9211 -18.9099
2 N1x N 26.6149 -20.1205
3 C1y C 28.0102 -20.1250
4 C1x C 28.7118 -18.9188
5 C1x C 28.0180 -17.7081
6 C1x C 26.6227 -17.7037
7 C1y C 25.2203 -17.6993
8 C1y C 23.8185 -17.6993
9 C1x C 23.1176 -18.9133
10 C1x C 23.8185 -20.1272
11 C1x C 25.2203 -20.1272
12 C1b C 28.7073 -21.3412
13 C2b C 25.9205 -16.4850
14 O1a O 23.1176 -16.4853
15 C2b C 30.1091 -21.3456
16 C2b C 30.8061 -22.5618
17 C3b C 32.2078 -22.5664
18 C3a C 32.9048 -23.7825
19 C2b C 27.3222 -16.4841
20 C3b C 28.0223 -15.2698
21 C3a C 29.4240 -15.2689
BOND 22
1 10 11 1
2 11 1 1
3 1 7 1
4 5 6 1
5 3 12 1 #Up
6 1 6 1 #Up
7 7 13 1 #Up
8 8 14 1 #Down
9 1 2 1 #Down
10 12 15 1
11 2 3 1
12 15 16 2
13 3 4 1
14 16 17 1
15 4 5 1
16 17 18 3
17 7 8 1
18 13 19 2
19 8 9 1
20 19 20 1
21 9 10 1
22 20 21 3
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