ATOM 19
1 C1y C 28.0167 -20.4271
2 C1y C 26.8521 -19.7457
3 C1y C 29.1988 -19.7516
4 C1z C 26.8579 -18.3889
5 C1z C 25.6817 -20.4212
6 C1x C 29.2047 -18.4006
7 C1x C 28.0284 -17.7075
8 C5x C 25.6817 -17.7075
9 C1a C 26.9805 -17.0203
10 C2x C 24.4995 -19.7457
11 C1a C 26.3455 -21.5975
12 O1a O 24.9829 -21.5975
13 C2x C 24.4995 -18.3889
14 O5x O 25.6817 -16.3448
15 O7x O 28.2939 -21.7601
16 C7x C 29.7173 -21.7684
17 C1y C 30.2066 -20.6671
18 O6a O 30.4867 -22.9605
19 C1a C 31.6120 -20.3713
BOND 21
1 1 2 1
2 1 3 1
3 2 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 4 8 1
8 4 9 1 #Up
9 5 10 1
10 5 11 1 #Up
11 5 12 1 #Down
12 8 13 1
13 8 14 2
14 6 7 1
15 10 13 2
16 1 15 1
17 15 16 1
18 16 17 1
19 3 17 1
20 16 18 2
21 17 19 1 #Down
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