@MOLECULE (8s)-8-hydroxy-4-[(1s)-1-hydroxyethyl]-7,8-dihydro-2-quinolinecarboxylic acid 30 31 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.9705 0.1575 -0.6137 O.2 1 UNL1111111111 -1.0129 2 C 3.1077 0.7507 -0.0186 C.2 1 UNL1111111111 1.6990 3 CA 1.6648 0.3886 0.0263 C.ar 1 UNL1111111111 0.3813 4 N 0.7683 1.3894 -0.0506 N.ar 1 UNL1111111111 -0.8427 5 C 1.3066 -0.9607 0.1128 C.ar 1 UNL1111111111 -0.6820 6 C -0.5288 1.0669 0.0099 C.ar 1 UNL1111111111 0.1319 7 C -0.0467 -1.2937 0.1864 C.ar 1 UNL1111111111 0.6577 8 C -1.5267 2.1987 -0.1529 C.3 1 UNL1111111111 0.6616 9 C -0.9932 -0.2603 0.1806 C.ar 1 UNL1111111111 -0.0894 10 O -1.9441 2.2483 -1.4962 O.3 1 UNL1111111111 -0.5656 11 C -2.7407 1.9730 0.7630 C.3 1 UNL1111111111 -0.6269 12 C -0.5046 -2.7331 0.2773 C.3 1 UNL1111111111 -0.0757 13 O -1.4918 -2.9641 -0.7086 O.3 1 UNL1111111111 -0.4753 14 C -2.4185 -0.4621 0.3942 C.2 1 UNL1111111111 -0.3944 15 C 0.6036 -3.7713 0.1309 C.3 1 UNL1111111111 -0.7923 16 C -3.2292 0.5653 0.6926 C.2 1 UNL1111111111 0.3834 17 OXT 3.3827 1.8229 0.7538 O.3 1 UNL1111111111 -0.9657 18 H 2.0861 -1.7245 0.1190 H 1 UNL1111111111 0.0699 19 H -1.0567 3.2014 -0.0059 H 1 UNL1111111111 0.0855 20 H -2.3500 1.3971 -1.7688 H 1 UNL1111111111 0.2011 21 H -3.5412 2.6877 0.4721 H 1 UNL1111111111 0.2590 22 H -2.4799 2.2298 1.8127 H 1 UNL1111111111 0.1064 23 H -1.0783 -2.8952 1.2264 H 1 UNL1111111111 0.2561 24 H -1.1165 -2.8894 -1.6095 H 1 UNL1111111111 0.2817 25 H -2.7974 -1.4848 0.3214 H 1 UNL1111111111 0.1188 26 H 1.3008 -3.7497 0.9761 H 1 UNL1111111111 0.2800 27 H 1.1797 -3.6400 -0.7928 H 1 UNL1111111111 0.2095 28 H 0.1690 -4.7814 0.0943 H 1 UNL1111111111 0.2599 29 H -4.2871 0.4192 0.9061 H 1 UNL1111111111 -0.0285 30 HXT 4.3387 2.0908 0.7143 H 1 UNL1111111111 0.5086 @BOND 1 1 2 2 2 2 3 1 3 2 17 1 4 3 4 ar 5 3 5 ar 6 4 6 ar 7 5 7 ar 8 5 18 1 9 6 8 1 10 6 9 ar 11 7 9 ar 12 7 12 1 13 8 10 1 14 8 11 1 15 8 19 1 16 9 14 1 17 10 20 1 18 11 16 1 19 11 21 1 20 11 22 1 21 12 13 1 22 12 15 1 23 12 23 1 24 13 24 1 25 14 16 2 26 14 25 1 27 15 26 1 28 15 27 1 29 15 28 1 30 16 29 1 31 17 30 1