KEGG:C07778 Cetirizine ISISHOST03240423182D 1 1.00000 0.00000 6823 27 29 0 0 0 999 V2000 -0.1517 -1.2241 0.0000 C 0 0 3 0 0 0 0 0 0 -0.1586 -0.4000 0.0000 N 0 0 3 0 0 0 0 0 0 -0.8586 -1.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0.5655 -1.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0.5517 0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8724 0.0069 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8552 -2.4655 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5793 -1.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0.5690 -2.4586 0.0000 C 0 0 0 0 0 0 0 0 0 1.2828 -1.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0.5483 0.8414 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8793 0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5759 -2.8862 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2966 -1.6414 0.0000 C 0 0 0 0 0 0 0 0 0 1.2931 -2.8724 0.0000 C 0 0 0 0 0 0 0 0 0 2.0035 -1.6207 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1690 1.2448 0.0000 N 0 0 3 0 0 0 0 0 0 -2.2931 -2.4690 0.0000 C 0 0 0 0 0 0 0 0 0 2.0069 -2.4517 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1724 2.0724 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0138 -2.8897 0.0000 Cl 0 0 0 0 0 0 0 0 0 0.5414 2.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0.5379 3.3207 0.0000 O 0 0 0 0 0 0 0 0 0 1.2483 3.7345 0.0000 C 0 0 0 0 0 0 0 0 0 1.2448 4.5621 0.0000 C 0 0 0 0 0 0 0 0 0 1.9586 4.9828 0.0000 O 0 0 0 0 0 0 0 0 0 0.5241 4.9724 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 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 2 0 0 0 3 8 1 0 0 0 4 9 2 0 0 0 4 10 1 0 0 0 5 11 1 0 0 0 6 12 1 0 0 0 7 13 1 0 0 0 8 14 2 0 0 0 9 15 1 0 0 0 10 16 2 0 0 0 11 17 1 0 0 0 13 18 2 0 0 0 15 19 2 0 0 0 17 20 1 0 0 0 18 21 1 0 0 0 20 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 25 27 2 0 0 0 12 17 1 0 0 0 14 18 1 0 0 0 16 19 1 0 0 0 M END