@MOLECULE 1-[5-(~122~i)iodo-2,4-dimethoxyphenyl]-n,n-dimethyl-2-propanamine 37 37 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 I 2.8984 0.9987 -0.0652 I 1 UNL1 0.0025 2 O -2.5313 -2.0692 -0.2761 O.3 1 UNL1 -0.2982 3 O 2.1591 -2.0477 0.8358 O.3 1 UNL1 -0.3373 4 N -4.7468 1.2326 -0.2265 N.3 1 UNL1 -0.4150 5 C -3.3956 0.8697 0.2915 C.3 1 UNL1 0.0809 6 C -2.5335 0.5361 -0.9626 C.3 1 UNL1 -0.2802 7 C -1.2738 -0.1475 -0.5539 C.ar 1 UNL1 -0.1051 8 C -2.7198 2.0009 1.0791 C.3 1 UNL1 -0.4687 9 C -1.2986 -1.5102 -0.1794 C.ar 1 UNL1 0.2555 10 C -5.5694 0.0132 -0.4107 C.3 1 UNL1 -0.2822 11 C -5.4780 2.1911 0.6268 C.3 1 UNL1 -0.2706 12 C -0.0662 0.5340 -0.5058 C.ar 1 UNL1 -0.0922 13 C -0.1511 -2.1672 0.2450 C.ar 1 UNL1 -0.3678 14 C 1.1027 -0.1107 -0.0878 C.ar 1 UNL1 -0.1919 15 C 1.0494 -1.4486 0.2961 C.ar 1 UNL1 0.2587 16 C -2.6540 -3.4358 0.0965 C.3 1 UNL1 -0.2058 17 C 2.6623 -3.1272 0.0556 C.3 1 UNL1 -0.1899 18 H -3.4466 -0.0376 0.9483 H 1 UNL1 0.1219 19 H -2.3421 1.4653 -1.5338 H 1 UNL1 0.1608 20 H -3.1162 -0.1027 -1.6605 H 1 UNL1 0.1650 21 H -2.6970 2.9334 0.5043 H 1 UNL1 0.1553 22 H -1.6809 1.7345 1.3153 H 1 UNL1 0.1560 23 H -3.2245 2.1960 2.0298 H 1 UNL1 0.1438 24 H -5.0091 -0.7299 -1.0017 H 1 UNL1 0.1466 25 H -6.4679 0.2800 -0.9910 H 1 UNL1 0.1436 26 H -5.8859 -0.4647 0.5278 H 1 UNL1 0.1165 27 H -4.9702 3.1691 0.5847 H 1 UNL1 0.1469 28 H -5.5766 1.8855 1.6783 H 1 UNL1 0.1164 29 H -6.4887 2.3444 0.2139 H 1 UNL1 0.1389 30 H -0.0496 1.5872 -0.8013 H 1 UNL1 0.1734 31 H -0.1615 -3.2046 0.5599 H 1 UNL1 0.1801 32 H -3.7195 -3.6294 -0.0871 H 1 UNL1 0.1525 33 H -2.4154 -3.5729 1.1558 H 1 UNL1 0.1387 34 H -2.0351 -4.0750 -0.5400 H 1 UNL1 0.1352 35 H 3.5403 -3.4438 0.6346 H 1 UNL1 0.1538 36 H 2.9625 -2.7751 -0.9364 H 1 UNL1 0.1346 37 H 1.9324 -3.9377 -0.0178 H 1 UNL1 0.1273 @BOND 1 20 6 1 2 19 6 1 3 24 10 1 4 25 10 1 5 6 7 1 6 6 5 1 7 36 17 1 8 30 12 1 9 7 12 ar 10 7 9 ar 11 34 16 1 12 12 14 ar 13 10 4 1 14 10 26 1 15 2 9 1 16 2 16 1 17 4 5 1 18 4 11 1 19 9 13 ar 20 14 1 1 21 14 15 ar 22 32 16 1 23 37 17 1 24 17 35 1 25 17 3 1 26 16 33 1 27 29 11 1 28 13 15 ar 29 13 31 1 30 5 18 1 31 5 8 1 32 15 3 1 33 21 8 1 34 27 11 1 35 11 28 1 36 8 22 1 37 8 23 1