KEGG:C10036 Datiscetin ISISHOST03240423242D 1 1.00000 0.00000 9078 21 23 0 0 0 999 V2000 -0.9621 -0.5862 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9586 0.2414 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2448 -1.0035 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6724 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2379 0.6552 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6724 0.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0.4759 -0.5931 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2483 -1.8310 0.0000 O 0 0 0 0 0 0 0 0 0 -2.3931 -0.5862 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6724 -1.8276 0.0000 O 0 0 0 0 0 0 0 0 0 0.4793 0.2345 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3931 0.2414 0.0000 C 0 0 0 0 0 0 0 0 0 1.1931 -1.0103 0.0000 O 0 0 0 0 0 0 0 0 0 1.2000 0.6483 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1069 0.6586 0.0000 O 0 0 0 0 0 0 0 0 0 1.9138 0.2276 0.0000 C 0 0 0 0 0 0 0 0 0 1.2000 1.4759 0.0000 C 0 0 0 0 0 0 0 0 0 2.6310 0.6414 0.0000 C 0 0 0 0 0 0 0 0 0 1.9103 -0.6000 0.0000 O 0 0 0 0 0 0 0 0 0 1.9207 1.8862 0.0000 C 0 0 0 0 0 0 0 0 0 2.6345 1.4690 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 3 8 2 0 0 0 4 9 2 0 0 0 4 10 1 0 0 0 5 11 1 0 0 0 6 12 2 0 0 0 7 13 1 0 0 0 11 14 1 0 0 0 12 15 1 0 0 0 14 16 2 0 0 0 14 17 1 0 0 0 16 18 1 0 0 0 16 19 1 0 0 0 17 20 2 0 0 0 18 21 2 0 0 0 7 11 2 0 0 0 9 12 1 0 0 0 20 21 1 0 0 0 M END