@MOLECULE (7s,8r)-2-chloro-7,8-dihydro-7,8-quinolinediol 21 22 0 0 0 SMALL GASTEIGER @ATOM 1 CL -3.6171 -0.8074 0.1352 Cl 1 UNL1111111111 -0.0307 2 O 1.6924 -1.4438 -1.1640 O.3 1 UNL1111111111 -0.5457 3 O 3.7934 -1.0005 0.3657 O.3 1 UNL1111111111 -0.5275 4 N -1.0325 -0.7496 0.1579 N.ar 1 UNL1111111111 -0.3767 5 C 1.3768 -1.0458 0.1569 C.3 1 UNL1111111111 0.0950 6 C 2.6259 -0.2788 0.6659 C.3 1 UNL1111111111 0.1193 7 C 0.1645 -0.1408 0.0945 C.ar 1 UNL1111111111 0.1137 8 C 0.2997 1.2514 -0.0851 C.ar 1 UNL1111111111 -0.0646 9 C 2.7191 1.1159 0.1214 C.2 1 UNL1111111111 -0.1510 10 C 1.6298 1.8312 -0.1879 C.2 1 UNL1111111111 -0.1759 11 C -0.8628 2.0242 -0.1839 C.ar 1 UNL1111111111 -0.0858 12 C -2.1084 1.4066 -0.1098 C.ar 1 UNL1111111111 -0.2294 13 C -2.1245 0.0193 0.0563 C.ar 1 UNL1111111111 0.1740 14 H 1.1891 -1.9576 0.7717 H 1 UNL1111111111 0.1585 15 H 2.6278 -0.2538 1.7876 H 1 UNL1111111111 0.1619 16 H 3.7339 1.4993 0.0219 H 1 UNL1111111111 0.1710 17 H 1.6936 2.8581 -0.5460 H 1 UNL1111111111 0.1627 18 H -0.7927 3.1045 -0.3206 H 1 UNL1111111111 0.1692 19 H 0.9701 -2.0025 -1.5295 H 1 UNL1111111111 0.3369 20 H -3.0309 1.9816 -0.1833 H 1 UNL1111111111 0.1859 21 H 3.7754 -1.2940 -0.5771 H 1 UNL1111111111 0.3392 @BOND 1 1 13 1 2 2 5 1 3 2 19 1 4 3 6 1 5 3 21 1 6 4 7 ar 7 4 13 ar 8 5 6 1 9 5 7 1 10 5 14 1 11 6 9 1 12 6 15 1 13 7 8 ar 14 8 10 1 15 8 11 ar 16 9 10 2 17 9 16 1 18 10 17 1 19 11 12 ar 20 11 18 1 21 12 13 ar 22 12 20 1