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|
SciTegic01181116592D
36 41 0 0 0 0 999 V2000
-3.1960 -20.3395 0.0000 C 0 0 2 0 0 0
-1.7704 -19.5098 0.0000 C 0 0
-2.4817 -19.0987 0.0000 C 0 0
-3.1960 -19.5114 0.0000 C 0 0 2 0 0 0
-4.0171 -21.7775 0.0000 C 0 0
-3.1921 -21.7775 0.0000 C 0 0
-2.7763 -21.0619 0.0000 C 0 0 2 0 0 0
-4.4281 -21.0663 0.0000 C 0 0
-2.0577 -21.4777 0.0000 C 0 0 2 0 0 0
-4.0179 -20.3565 0.0000 C 0 0 2 0 0 0
-4.0337 -19.5114 0.0000 C 0 0 1 0 0 0
-4.8296 -19.2683 0.0000 O 0 0
-5.3112 -19.9445 0.0000 C 0 0
-4.8166 -20.6123 0.0000 O 0 0
-1.7853 -20.3104 0.0000 C 0 0 1 0 0 0
-2.3411 -20.6109 0.0000 C 0 0 1 0 0 0
-1.2224 -21.4777 0.0000 C 0 0
-1.0146 -20.7014 0.0000 O 0 0
-2.4817 -18.2701 0.0000 C 0 0
-2.5623 -21.8647 0.0000 H 0 0
-5.9354 -19.3942 0.0000 C 0 0
-5.9253 -20.5065 0.0000 C 0 0
-1.0611 -19.8920 0.0000 H 0 0
-3.9117 -18.6882 0.0000 H 0 0
-1.9519 -22.2912 0.0000 H 0 0
-1.5536 -20.8189 0.0000 H 0 0
-0.4062 -21.4757 0.0000 C 0 0
-0.8203 -22.1861 0.0000 C 0 0
-1.2357 -22.8935 0.0000 C 0 0
-0.8308 -23.6069 0.0000 C 0 0
-2.0560 -22.8875 0.0000 C 0 0
0.0012 -20.7636 0.0000 C 0 0
0.8215 -20.7604 0.0000 C 0 0
-0.4118 -20.0547 0.0000 C 0 0
-3.4100 -18.7086 0.0000 O 0 0
-1.7616 -17.8517 0.0000 O 0 0
4 11 1 0
7 9 1 0
16 9 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
10 14 1 1
15 16 1 0
9 17 1 0
17 18 1 0
18 15 1 0
3 19 1 0
7 20 1 6
13 21 1 0
13 22 1 0
15 23 1 1
11 24 1 6
9 25 1 1
1 16 1 1
16 26 1 1
1 4 1 0
17 27 1 0
15 2 1 0
17 28 1 0
2 3 2 0
28 29 1 0
3 4 1 0
29 30 1 0
8 5 1 0
29 31 1 0
8 10 1 0
27 32 1 0
5 6 1 0
32 33 1 0
6 7 1 0
32 34 1 0
7 1 1 0
10 1 1 0
4 35 1 6
19 36 1 0
M END
> <chembl_id>
CHEMBL1269997
> <chebi_id>
809235
$$$$
|
