@MOLECULE 3-[4-methoxy-3-(2-methyl-2-propanyl)phenyl]-2(1h)-pyridinone 38 39 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.7344 0.6126 -0.0360 C.ar 1 UNL1 -0.0618 2 C 0.2307 1.8854 0.2234 C.ar 1 UNL1 -0.0975 3 C -1.1450 2.0886 0.3041 C.ar 1 UNL1 -0.2983 4 C -2.0047 1.0072 0.1260 C.ar 1 UNL1 0.2336 5 C -1.5268 -0.2988 -0.1320 C.ar 1 UNL1 -0.1022 6 C -0.1501 -0.4644 -0.2028 C.ar 1 UNL1 -0.0929 7 C -2.4831 -1.4602 -0.3068 C.3 1 UNL1 0.1405 8 C -3.4246 -1.1755 -1.4918 C.3 1 UNL1 -0.4641 9 C -1.7500 -2.7841 -0.5999 C.3 1 UNL1 -0.4637 10 C -3.2886 -1.6459 0.9921 C.3 1 UNL1 -0.4624 11 O -3.3616 1.1021 0.1834 O.3 1 UNL1 -0.3143 12 C -3.9207 2.3755 0.4694 C.3 1 UNL1 -0.2095 13 C 2.1764 0.4020 -0.1294 C.ar 1 UNL1 -0.1631 14 C 2.7307 -0.7616 0.5504 C.ar 1 UNL1 0.5721 15 O 2.1402 -1.6265 1.1630 O.2 1 UNL1 -0.5117 16 N 4.1462 -0.9110 0.4890 N.ar 1 UNL1 -0.4875 17 C 4.9467 -0.0250 -0.1939 C.ar 1 UNL1 0.0893 18 C 4.4022 1.0456 -0.8503 C.ar 1 UNL1 -0.3201 19 C 2.9949 1.2543 -0.8116 C.ar 1 UNL1 -0.0342 20 H 0.9079 2.7240 0.3754 H 1 UNL1 0.1487 21 H -1.5241 3.0830 0.5094 H 1 UNL1 0.1592 22 H 0.2790 -1.4551 -0.3796 H 1 UNL1 0.1774 23 H -2.8554 -0.9493 -2.3989 H 1 UNL1 0.1446 24 H -4.0673 -2.0361 -1.7008 H 1 UNL1 0.1430 25 H -4.0833 -0.3220 -1.2972 H 1 UNL1 0.1557 26 H -1.0675 -3.0541 0.2154 H 1 UNL1 0.1565 27 H -2.4634 -3.6075 -0.7103 H 1 UNL1 0.1449 28 H -1.1706 -2.7272 -1.5268 H 1 UNL1 0.1452 29 H -3.9374 -0.7872 1.1956 H 1 UNL1 0.1545 30 H -3.9277 -2.5319 0.9388 H 1 UNL1 0.1427 31 H -2.6198 -1.7625 1.8524 H 1 UNL1 0.1514 32 H -3.6689 3.1001 -0.3107 H 1 UNL1 0.1327 33 H -4.9980 2.1612 0.4586 H 1 UNL1 0.1503 34 H -3.6116 2.7264 1.4589 H 1 UNL1 0.1354 35 H 4.5537 -1.7055 0.9728 H 1 UNL1 0.3196 36 H 6.0229 -0.2250 -0.1836 H 1 UNL1 0.1567 37 H 5.0272 1.7419 -1.3986 H 1 UNL1 0.1693 38 H 2.5839 2.1159 -1.3429 H 1 UNL1 0.1602 @BOND 1 23 8 1 2 24 8 1 3 28 9 1 4 8 25 1 5 8 7 1 6 37 18 1 7 38 19 1 8 18 19 ar 9 18 17 ar 10 19 13 ar 11 27 9 1 12 9 7 1 13 9 26 1 14 22 6 1 15 32 12 1 16 7 5 1 17 7 10 1 18 6 5 ar 19 6 1 ar 20 17 36 1 21 17 16 ar 22 5 4 ar 23 13 1 1 24 13 14 ar 25 1 2 ar 26 4 11 1 27 4 3 ar 28 11 12 1 29 2 3 ar 30 2 20 1 31 3 21 1 32 33 12 1 33 12 34 1 34 16 14 ar 35 16 35 1 36 14 15 2 37 30 10 1 38 10 29 1 39 10 31 1