@MOLECULE 2-[2-(5-ethyl-2-hydroxy-6-methylpyridin-3-yl)ethyl]-1h-isoindole-1,3(2h)-dione 41 43 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.0383 -0.8672 2.2472 O.2 1 UNL1 -0.4161 2 O 1.8503 -2.3342 -1.6662 O.2 1 UNL1 -0.4359 3 O -3.4702 -1.6257 0.7809 O.2 1 UNL1 -0.5245 4 N 0.7137 -1.9167 0.3145 N.am 1 UNL1 -0.5594 5 N -3.1360 0.5835 0.5870 N.ar 1 UNL1 -0.4987 6 C -0.4165 -2.8192 0.1068 C.3 1 UNL1 -0.0353 7 C -1.3479 -2.3244 -1.0262 C.3 1 UNL1 -0.2813 8 C -1.7789 -0.9249 -0.7620 C.ar 1 UNL1 -0.1849 9 C -1.5496 1.4833 -0.9582 C.ar 1 UNL1 -0.1978 10 C -1.1977 0.1579 -1.3446 C.ar 1 UNL1 -0.0544 11 C 1.8725 -0.0124 0.9903 C.ar 1 UNL1 -0.1240 12 C 2.4540 -0.4636 -0.2158 C.ar 1 UNL1 -0.1309 13 C 0.7264 -0.9138 1.3266 C.2 1 UNL1 0.5801 14 C 1.6976 -1.6689 -0.6799 C.2 1 UNL1 0.5841 15 C -2.4953 1.6704 0.0240 C.ar 1 UNL1 0.2463 16 C -2.8270 -0.7555 0.2293 C.ar 1 UNL1 0.5749 17 C -0.8339 2.6241 -1.6069 C.3 1 UNL1 -0.2263 18 C 2.3532 1.0912 1.6524 C.ar 1 UNL1 -0.0871 19 C 3.5251 0.1881 -0.7780 C.ar 1 UNL1 -0.0886 20 C -2.8993 3.0136 0.5352 C.3 1 UNL1 -0.4686 21 C 0.4793 2.9196 -0.8758 C.3 1 UNL1 -0.4360 22 C 3.4496 1.7633 1.0786 C.ar 1 UNL1 -0.1338 23 C 4.0207 1.3230 -0.1079 C.ar 1 UNL1 -0.1361 24 H -0.9926 -2.8972 1.0632 H 1 UNL1 0.1777 25 H -0.0234 -3.8321 -0.1398 H 1 UNL1 0.1531 26 H -0.8312 -2.4126 -2.0043 H 1 UNL1 0.1621 27 H -2.2290 -3.0020 -1.0849 H 1 UNL1 0.1741 28 H -0.4275 0.0334 -2.1099 H 1 UNL1 0.1605 29 H -0.6251 2.3904 -2.6724 H 1 UNL1 0.1450 30 H -1.4656 3.5339 -1.6370 H 1 UNL1 0.1388 31 H -3.8370 0.7229 1.3100 H 1 UNL1 0.3214 32 H 1.9055 1.4359 2.5843 H 1 UNL1 0.1738 33 H 3.9776 -0.1578 -1.7072 H 1 UNL1 0.1729 34 H -2.0150 3.6269 0.7760 H 1 UNL1 0.1766 35 H -3.5116 2.9736 1.4467 H 1 UNL1 0.1626 36 H -3.4795 3.5653 -0.2223 H 1 UNL1 0.1742 37 H 1.0166 3.7515 -1.3412 H 1 UNL1 0.1379 38 H 1.1441 2.0466 -0.8865 H 1 UNL1 0.1494 39 H 0.3031 3.1778 0.1740 H 1 UNL1 0.1426 40 H 3.8515 2.6428 1.5815 H 1 UNL1 0.1558 41 H 4.8691 1.8586 -0.5337 H 1 UNL1 0.1560 @BOND 1 29 17 1 2 28 10 1 3 26 7 1 4 33 19 1 5 2 14 2 6 30 17 1 7 17 9 1 8 17 21 1 9 10 9 ar 10 10 8 ar 11 37 21 1 12 27 7 1 13 7 8 1 14 7 6 1 15 9 15 ar 16 38 21 1 17 21 39 1 18 19 12 ar 19 19 23 ar 20 8 16 ar 21 14 12 1 22 14 4 am 23 41 23 1 24 36 20 1 25 12 11 ar 26 25 6 1 27 23 22 ar 28 15 20 1 29 15 5 ar 30 6 4 1 31 6 24 1 32 16 5 ar 33 16 3 2 34 4 13 am 35 20 34 1 36 20 35 1 37 5 31 1 38 11 13 1 39 11 18 ar 40 22 40 1 41 22 18 ar 42 13 1 2 43 18 32 1