@MOLECULE 6-benzyl-4-oxo-4h-pyran-3-carboxamide 28 29 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.2906 -0.9983 1.0819 O.2 1 UNL1 -0.2652 2 O 2.4403 2.1261 -0.3452 O.2 1 UNL1 -0.4943 3 O 3.9581 -1.7626 -0.5088 O.2 1 UNL1 -0.5731 4 N 4.4052 0.3775 -1.0512 N.am 1 UNL1 -0.6566 5 C -1.5823 0.2319 1.7065 C.3 1 UNL1 -0.3182 6 C -2.5810 0.0477 0.5991 C.ar 1 UNL1 -0.0009 7 C -0.2158 0.2814 1.1160 C.ar 1 UNL1 0.2924 8 C 0.4688 1.3401 0.6563 C.ar 1 UNL1 -0.4177 9 C -2.9324 -1.2380 0.1855 C.ar 1 UNL1 -0.1618 10 C -3.1416 1.1624 -0.0259 C.ar 1 UNL1 -0.1623 11 C 2.2828 -0.2036 0.0380 C.ar 1 UNL1 -0.4051 12 C 1.8025 1.1811 0.0711 C.ar 1 UNL1 0.5304 13 C 1.5095 -1.1939 0.5369 C.ar 1 UNL1 0.2288 14 C -3.8462 -1.4065 -0.8522 C.ar 1 UNL1 -0.1373 15 C -4.0542 0.9892 -1.0647 C.ar 1 UNL1 -0.1346 16 C -4.4073 -0.2941 -1.4778 C.ar 1 UNL1 -0.1471 17 C 3.5990 -0.5946 -0.5204 C.2 1 UNL1 0.6282 18 H -1.7903 1.1596 2.2868 H 1 UNL1 0.1820 19 H -1.6667 -0.5919 2.4546 H 1 UNL1 0.1842 20 H 0.0731 2.3536 0.6819 H 1 UNL1 0.2027 21 H -2.4905 -2.1084 0.6672 H 1 UNL1 0.1567 22 H -2.8653 2.1659 0.2900 H 1 UNL1 0.1553 23 H 1.7374 -2.2648 0.5806 H 1 UNL1 0.2037 24 H -4.1202 -2.4091 -1.1764 H 1 UNL1 0.1535 25 H -4.4897 1.8588 -1.5550 H 1 UNL1 0.1534 26 H -5.1196 -0.4279 -2.2902 H 1 UNL1 0.1537 27 H 5.2989 0.1375 -1.4281 H 1 UNL1 0.3127 28 H 4.1238 1.3437 -1.0578 H 1 UNL1 0.3365 @BOND 1 26 16 1 2 25 15 1 3 16 15 ar 4 16 14 ar 5 27 4 1 6 24 14 1 7 15 10 ar 8 28 4 1 9 4 17 am 10 14 9 ar 11 17 3 2 12 17 11 1 13 2 12 2 14 10 22 1 15 10 6 ar 16 11 12 ar 17 11 13 ar 18 12 8 ar 19 9 6 ar 20 9 21 1 21 13 23 1 22 13 1 ar 23 6 5 1 24 8 20 1 25 8 7 ar 26 1 7 ar 27 7 5 1 28 5 18 1 29 5 19 1