@MOLECULE (3r)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1h-isochromene-7-carboxylic acid 26 27 0 0 0 SMALL GASTEIGER @ATOM 1 CL 0.2826 -3.2476 -0.1679 Cl 1 UNL1111111111 -0.0587 2 O 2.7701 1.4604 0.0327 O.3 1 UNL1111111111 -0.3885 3 O -1.3513 2.3127 0.0175 O.3 1 UNL1111111111 -0.3991 4 O 1.2067 2.9632 -0.2209 O.2 1 UNL1111111111 -0.5014 5 O -4.0418 -0.6001 0.6341 O.3 1 UNL1111111111 -0.5760 6 O -3.8849 1.3761 -0.3813 O.2 1 UNL1111111111 -0.4526 7 C 2.2912 -0.9344 -0.1848 C.3 1 UNL1111111111 -0.3708 8 C 3.1150 0.1523 0.5125 C.3 1 UNL1111111111 0.1603 9 C 0.8381 -0.6227 -0.0935 C.ar 1 UNL1111111111 0.1809 10 C 0.4514 0.7228 -0.0466 C.ar 1 UNL1111111111 -0.4035 11 C 4.6001 0.0451 0.2016 C.3 1 UNL1111111111 -0.4722 12 C -0.1496 -1.6006 -0.0840 C.ar 1 UNL1111111111 -0.1623 13 C 1.4612 1.7826 -0.0774 C.2 1 UNL1111111111 0.6402 14 C -0.9186 1.0594 -0.0101 C.ar 1 UNL1111111111 0.4291 15 C -1.9033 0.0448 0.0117 C.ar 1 UNL1111111111 -0.2769 16 C -1.5062 -1.2871 -0.0159 C.ar 1 UNL1111111111 0.0420 17 C -3.3254 0.4017 0.0400 C.2 1 UNL1111111111 0.6601 18 H 2.5481 -1.9231 0.2534 H 1 UNL1111111111 0.1864 19 H 2.5799 -1.0194 -1.2597 H 1 UNL1111111111 0.1926 20 H 2.9176 0.1666 1.6099 H 1 UNL1111111111 0.1378 21 H 4.7962 0.1057 -0.8777 H 1 UNL1111111111 0.1677 22 H 5.1584 0.8737 0.6639 H 1 UNL1111111111 0.1730 23 H 5.0234 -0.8937 0.5750 H 1 UNL1111111111 0.1595 24 H -2.2636 -2.0836 0.0094 H 1 UNL1111111111 0.1929 25 H -0.5765 2.9794 -0.0726 H 1 UNL1111111111 0.3814 26 H -5.0103 -0.4099 0.6794 H 1 UNL1111111111 0.3581 @BOND 1 1 12 1 2 2 8 1 3 2 13 1 4 3 14 1 5 3 25 1 6 4 13 2 7 5 17 1 8 5 26 1 9 6 17 2 10 7 8 1 11 7 9 1 12 7 18 1 13 7 19 1 14 8 11 1 15 8 20 1 16 9 10 ar 17 9 12 ar 18 10 13 1 19 10 14 ar 20 11 21 1 21 11 22 1 22 11 23 1 23 12 16 ar 24 14 15 ar 25 15 16 ar 26 15 17 1 27 16 24 1