@MOLECULE 6-methyl-2-(4-toluidino)-4h-3,1-benzoxazin-4-one 34 36 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.7684 -2.0084 -0.0795 O.2 1 UNL1 -0.4800 2 O 2.7943 -2.8109 -0.1516 O.2 1 UNL1 -0.3880 3 N -1.3770 -1.4383 -0.1114 N.pl3 1 UNL1 -0.4785 4 N 0.2611 0.3128 -0.0033 N.ar 1 UNL1 -0.5724 5 C 2.5888 -0.4138 -0.0125 C.ar 1 UNL1 -0.3049 6 C 1.6166 0.6043 0.0373 C.ar 1 UNL1 0.2865 7 C 4.3505 1.2351 0.0981 C.ar 1 UNL1 -0.0313 8 C 3.9527 -0.0898 0.0146 C.ar 1 UNL1 -0.0639 9 C -2.5449 -0.6296 -0.0583 C.ar 1 UNL1 0.1805 10 C 2.0264 1.9518 0.1302 C.ar 1 UNL1 -0.2050 11 C -0.0972 -0.9525 -0.0585 C.ar 1 UNL1 0.6160 12 C 3.3747 2.2507 0.1596 C.ar 1 UNL1 -0.0885 13 C 2.1677 -1.7956 -0.0887 C.ar 1 UNL1 0.6324 14 C -4.9199 0.8349 0.0237 C.ar 1 UNL1 0.0184 15 C -3.6971 -1.1989 0.5062 C.ar 1 UNL1 -0.2121 16 C -2.5814 0.6645 -0.5888 C.ar 1 UNL1 -0.1633 17 C 5.8001 1.5802 0.1353 C.3 1 UNL1 -0.4440 18 C -4.8758 -0.4620 0.5421 C.ar 1 UNL1 -0.1482 19 C -3.7693 1.3859 -0.5451 C.ar 1 UNL1 -0.1521 20 C -6.1843 1.6239 0.0684 C.3 1 UNL1 -0.4544 21 H 4.6915 -0.8934 -0.0295 H 1 UNL1 0.1708 22 H 1.2660 2.7313 0.1766 H 1 UNL1 0.1802 23 H 3.6961 3.2904 0.2320 H 1 UNL1 0.1527 24 H -1.4971 -2.4501 -0.0530 H 1 UNL1 0.3379 25 H -3.6746 -2.2036 0.9220 H 1 UNL1 0.1595 26 H -1.6865 1.1154 -1.0255 H 1 UNL1 0.1948 27 H 6.1826 1.5718 1.1680 H 1 UNL1 0.1612 28 H 6.0064 2.5765 -0.2772 H 1 UNL1 0.1532 29 H 6.4115 0.8680 -0.4372 H 1 UNL1 0.1588 30 H -5.7706 -0.8995 0.9820 H 1 UNL1 0.1536 31 H -3.7965 2.3938 -0.9589 H 1 UNL1 0.1556 32 H -6.7828 1.4606 -0.8405 H 1 UNL1 0.1613 33 H -5.9972 2.7049 0.1422 H 1 UNL1 0.1571 34 H -6.8173 1.3530 0.9244 H 1 UNL1 0.1562 @BOND 1 26 16 1 2 31 19 1 3 32 20 1 4 16 19 ar 5 16 9 ar 6 19 14 ar 7 29 17 1 8 28 17 1 9 2 13 2 10 3 11 1 11 3 9 1 12 3 24 1 13 13 1 ar 14 13 5 ar 15 1 11 ar 16 11 4 ar 17 9 15 ar 18 21 8 1 19 5 8 ar 20 5 6 ar 21 4 6 ar 22 8 7 ar 23 14 20 1 24 14 18 ar 25 6 10 ar 26 20 33 1 27 20 34 1 28 7 17 1 29 7 12 ar 30 10 12 ar 31 10 22 1 32 17 27 1 33 12 23 1 34 15 18 ar 35 15 25 1 36 18 30 1