@MOLECULE 7-amino-4-methylchromen-2-one 22 23 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.8524 -1.4746 0.0047 O.2 1 UNL1 -0.3787 2 O 2.9845 -1.9105 -0.0049 O.2 1 UNL1 -0.4232 3 N -3.8258 -0.9011 -0.0022 N.pl3 1 UNL1 -0.6143 4 C 0.0144 0.7892 0.0008 C.ar 1 UNL1 -0.3227 5 C 1.3633 1.2887 0.0006 C.ar 1 UNL1 0.2369 6 C -0.1753 -0.6084 0.0028 C.ar 1 UNL1 0.3911 7 C -1.1373 1.5993 -0.0013 C.ar 1 UNL1 0.0290 8 C -1.4391 -1.2015 0.0026 C.ar 1 UNL1 -0.4289 9 C -2.5623 -0.3628 -0.0002 C.ar 1 UNL1 0.3615 10 C 2.3975 0.4113 -0.0003 C.ar 1 UNL1 -0.4417 11 C -2.4005 1.0527 -0.0018 C.ar 1 UNL1 -0.3662 12 C 1.6043 2.7580 0.0009 C.3 1 UNL1 -0.4725 13 C 2.1879 -1.0137 -0.0007 C.ar 1 UNL1 0.6141 14 H -1.0218 2.6855 -0.0027 H 1 UNL1 0.1478 15 H -1.5264 -2.2828 0.0042 H 1 UNL1 0.1918 16 H 3.4388 0.7271 -0.0010 H 1 UNL1 0.1936 17 H -3.2771 1.6905 -0.0037 H 1 UNL1 0.1631 18 H 1.1612 3.2369 0.8879 H 1 UNL1 0.1695 19 H 1.1636 3.2363 -0.8878 H 1 UNL1 0.1696 20 H 2.6742 3.0140 0.0022 H 1 UNL1 0.1670 21 H -3.9646 -1.8874 -0.0004 H 1 UNL1 0.3093 22 H -4.6344 -0.3229 -0.0036 H 1 UNL1 0.3041 @BOND 1 19 12 1 2 2 13 2 3 17 11 1 4 22 3 1 5 14 7 1 6 3 21 1 7 3 9 1 8 11 7 ar 9 11 9 ar 10 7 4 ar 11 16 10 1 12 13 10 ar 13 13 1 ar 14 10 5 ar 15 9 8 ar 16 5 4 ar 17 5 12 1 18 4 6 ar 19 12 20 1 20 12 18 1 21 8 6 ar 22 8 15 1 23 6 1 ar