ATOM 21
1 C1x C 24.3339 -22.0001
2 C1x C 24.3339 -23.3999
3 C2x C 25.5461 -24.0998
4 C2y C 26.7583 -23.3999
5 C1y C 26.7583 -22.0001
6 C1x C 25.5461 -21.3003
7 C2x C 27.9706 -24.0998
8 C2x C 29.1828 -23.3999
9 C1y C 29.1828 -22.0001
10 C1y C 27.9706 -21.3003
11 C1a C 30.3977 -21.2988
12 C1b C 27.9706 -19.9005
13 C1b C 29.1848 -19.1995
14 C1y C 29.1864 -17.8009
15 O7x O 30.3994 -17.1024
16 C7x C 30.4010 -15.7026
17 C1x C 29.1895 -15.0013
18 C1y C 27.9765 -15.6999
19 C1x C 27.9750 -17.0997
20 O6a O 31.6135 -15.0044
21 O1a O 26.7632 -14.9975
BOND 23
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1 #Up
13 10 12 1 #Up
14 12 13 1
15 14 13 1 #Down
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 14 19 1
22 16 20 2
23 18 21 1 #Up
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