@MOLECULE 2-(4-chloro-3-ethoxy-1-oxo-1h-isochromen-7-yl)guanidine 31 32 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL -2.4044 2.4081 -0.1928 Cl 1 UNL1 -0.0175 2 O -1.8203 -1.4555 0.0981 O.2 1 UNL1 -0.4355 3 O -3.6911 -0.2092 -0.0584 O.3 1 UNL1 -0.2964 4 O -0.0909 -2.7728 0.1913 O.2 1 UNL1 -0.3968 5 N 3.9844 0.5486 0.4224 N.pl3 1 UNL1 -0.5868 6 N 6.1316 -0.3378 0.3392 N.pl3 1 UNL1 -0.6186 7 N 4.5404 -1.1832 -1.1926 N.pl3 1 UNL1 -0.6706 8 C -0.1954 0.8516 0.0506 C.ar 1 UNL1 0.1223 9 C 0.3943 -0.4158 0.1668 C.ar 1 UNL1 -0.2079 10 C 1.7849 -0.5588 0.2846 C.ar 1 UNL1 -0.1847 11 C -1.6199 0.9165 -0.0433 C.ar 1 UNL1 -0.3165 12 C 0.6373 1.9906 0.0416 C.ar 1 UNL1 -0.1677 13 C 2.5975 0.5708 0.2525 C.ar 1 UNL1 0.1820 14 C -2.3604 -0.2264 -0.0018 C.ar 1 UNL1 0.4818 15 C -0.4143 -1.6216 0.1606 C.ar 1 UNL1 0.6174 16 C 2.0049 1.8557 0.1390 C.ar 1 UNL1 -0.1052 17 C -4.3591 -1.4941 -0.0084 C.3 1 UNL1 -0.0062 18 C -5.8236 -1.0966 -0.0169 C.3 1 UNL1 -0.4638 19 C 4.8013 -0.3073 -0.1292 C.cat 1 UNL1 0.5638 20 H 2.2091 -1.5529 0.4264 H 1 UNL1 0.1715 21 H 0.1949 2.9845 -0.0416 H 1 UNL1 0.1762 22 H 2.6588 2.7302 0.1374 H 1 UNL1 0.1719 23 H -4.0590 -2.0788 -0.8953 H 1 UNL1 0.1421 24 H -4.0575 -2.0229 0.9132 H 1 UNL1 0.1447 25 H -6.4728 -1.9802 -0.0327 H 1 UNL1 0.1608 26 H -6.0857 -0.5009 0.8690 H 1 UNL1 0.1649 27 H -6.0687 -0.4824 -0.8955 H 1 UNL1 0.1659 28 H 6.3391 0.3435 1.0597 H 1 UNL1 0.3073 29 H 6.8540 -0.3952 -0.3580 H 1 UNL1 0.2885 30 H 5.1571 -1.9583 -1.3476 H 1 UNL1 0.3025 31 H 3.5774 -1.3744 -1.4104 H 1 UNL1 0.3104 @BOND 1 31 7 1 2 30 7 1 3 7 19 1 4 27 18 1 5 23 17 1 6 29 6 1 7 1 11 1 8 19 6 1 9 19 5 2 10 3 17 1 11 3 14 1 12 11 14 ar 13 11 8 ar 14 21 12 1 15 25 18 1 16 18 17 1 17 18 26 1 18 17 24 1 19 14 2 ar 20 12 8 ar 21 12 16 ar 22 8 9 ar 23 2 15 ar 24 22 16 1 25 16 13 ar 26 15 9 ar 27 15 4 2 28 9 10 ar 29 13 10 ar 30 13 5 1 31 10 20 1 32 6 28 1