@MOLECULE n-[2-(3,4-dimethoxyphenyl)ethyl]-4-[5-methoxy-2-(phenylethynyl)phenyl]-n-methyl-2-butanamine 69 71 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 7.1384 3.2956 0.6427 O.3 1 UNL1 -0.3135 2 O -6.9224 0.1628 1.7040 O.3 1 UNL1 -0.3429 3 O -7.7787 1.0120 -0.9137 O.3 1 UNL1 -0.3429 4 N -0.2065 0.0877 0.4603 N.3 1 UNL1 -0.4500 5 C 0.6778 0.3383 -0.7134 C.3 1 UNL1 0.0821 6 C 1.8574 1.1964 -0.1820 C.3 1 UNL1 -0.2787 7 C -1.6474 -0.0555 0.1622 C.3 1 UNL1 -0.0870 8 C 3.0282 1.2259 -1.1785 C.3 1 UNL1 -0.3017 9 C -0.0096 1.0929 -1.8612 C.3 1 UNL1 -0.4705 10 C -2.3341 1.2695 0.5758 C.3 1 UNL1 -0.2920 11 C 0.2771 -1.0774 1.2346 C.3 1 UNL1 -0.2798 12 C 4.3320 1.1698 -0.4426 C.ar 1 UNL1 0.1256 13 C -3.7807 1.2178 0.2086 C.ar 1 UNL1 0.0191 14 C 4.7842 -0.0465 0.1005 C.ar 1 UNL1 -0.1040 15 C 5.0933 2.3279 -0.2861 C.ar 1 UNL1 -0.3432 16 C -4.7042 0.6749 1.1036 C.ar 1 UNL1 -0.2196 17 C -4.2054 1.6889 -1.0371 C.ar 1 UNL1 -0.1865 18 C 6.2993 2.2549 0.4099 C.ar 1 UNL1 0.2811 19 C 6.0062 -0.0960 0.7917 C.ar 1 UNL1 -0.0422 20 C -6.0505 0.6190 0.7488 C.ar 1 UNL1 0.1487 21 C 6.7712 1.0464 0.9512 C.ar 1 UNL1 -0.2838 22 C -5.5516 1.6452 -1.3885 C.ar 1 UNL1 -0.1684 23 C -6.4770 1.1161 -0.4902 C.ar 1 UNL1 0.1045 24 C 4.0077 -1.2090 -0.0263 C.1 1 UNL1 -0.0230 25 C 3.3003 -2.1918 -0.1323 C.1 1 UNL1 -0.1375 26 C 6.7394 4.5764 0.1726 C.3 1 UNL1 -0.2030 27 C -7.5979 -1.0343 1.3237 C.3 1 UNL1 -0.1978 28 C -8.6640 1.8687 -0.1940 C.3 1 UNL1 -0.1990 29 C 2.4481 -3.3031 -0.2471 C.ar 1 UNL1 0.0389 30 C 1.5980 -3.4198 -1.3561 C.ar 1 UNL1 -0.1513 31 C 2.4232 -4.2806 0.7572 C.ar 1 UNL1 -0.1436 32 C 0.7241 -4.4986 -1.4487 C.ar 1 UNL1 -0.1444 33 C 1.5470 -5.3570 0.6545 C.ar 1 UNL1 -0.1465 34 C 0.6957 -5.4656 -0.4443 C.ar 1 UNL1 -0.1479 35 H 1.0792 -0.6297 -1.1159 H 1 UNL1 0.1155 36 H 2.1923 0.7960 0.7963 H 1 UNL1 0.1596 37 H 1.5049 2.2180 0.0429 H 1 UNL1 0.1490 38 H -2.0980 -0.8893 0.7436 H 1 UNL1 0.1325 39 H -1.8610 -0.2870 -0.9003 H 1 UNL1 0.1248 40 H 2.9613 2.1283 -1.8159 H 1 UNL1 0.1467 41 H 2.9626 0.3690 -1.8839 H 1 UNL1 0.1619 42 H -0.4957 2.0075 -1.5028 H 1 UNL1 0.1550 43 H -0.7676 0.4823 -2.3621 H 1 UNL1 0.1449 44 H 0.7223 1.3872 -2.6214 H 1 UNL1 0.1465 45 H -1.8195 2.1268 0.0995 H 1 UNL1 0.1568 46 H -2.1893 1.4308 1.6636 H 1 UNL1 0.1626 47 H 1.3529 -0.9649 1.4529 H 1 UNL1 0.1502 48 H 0.1374 -2.0460 0.7298 H 1 UNL1 0.1241 49 H -0.2477 -1.0998 2.2037 H 1 UNL1 0.1461 50 H 4.7395 3.2650 -0.7007 H 1 UNL1 0.1678 51 H -4.3893 0.2959 2.0738 H 1 UNL1 0.1742 52 H -3.4791 2.0973 -1.7364 H 1 UNL1 0.1569 53 H 6.3482 -1.0465 1.2048 H 1 UNL1 0.1594 54 H 7.7180 1.0282 1.4835 H 1 UNL1 0.1750 55 H -5.8936 2.0164 -2.3522 H 1 UNL1 0.1659 56 H 7.5689 5.2140 0.5086 H 1 UNL1 0.1533 57 H 5.8013 4.8913 0.6407 H 1 UNL1 0.1366 58 H 6.6670 4.5868 -0.9194 H 1 UNL1 0.1351 59 H -8.2139 -1.2503 2.2044 H 1 UNL1 0.1447 60 H -6.8765 -1.8374 1.1464 H 1 UNL1 0.1302 61 H -8.2220 -0.8711 0.4378 H 1 UNL1 0.1451 62 H -9.6376 1.6372 -0.6407 H 1 UNL1 0.1440 63 H -8.3964 2.9158 -0.3628 H 1 UNL1 0.1294 64 H -8.6574 1.6337 0.8761 H 1 UNL1 0.1442 65 H 1.6285 -2.6674 -2.1418 H 1 UNL1 0.1560 66 H 3.0895 -4.1918 1.6128 H 1 UNL1 0.1586 67 H 0.0623 -4.5885 -2.3082 H 1 UNL1 0.1510 68 H 1.5271 -6.1159 1.4343 H 1 UNL1 0.1494 69 H 0.0106 -6.3071 -0.5194 H 1 UNL1 0.1479 @BOND 1 44 9 1 2 43 9 1 3 55 22 1 4 67 32 1 5 65 30 1 6 41 8 1 7 9 42 1 8 9 5 1 9 40 8 1 10 52 17 1 11 32 30 ar 12 32 34 ar 13 22 17 ar 14 22 23 ar 15 30 29 ar 16 8 12 1 17 8 6 1 18 35 5 1 19 17 13 ar 20 58 26 1 21 3 23 1 22 3 28 1 23 39 7 1 24 5 6 1 25 5 4 1 26 50 15 1 27 62 28 1 28 69 34 1 29 23 20 ar 30 34 33 ar 31 12 15 ar 32 12 14 ar 33 63 28 1 34 15 18 ar 35 29 25 1 36 29 31 ar 37 28 64 1 38 6 37 1 39 6 36 1 40 25 24 3 41 24 14 1 42 45 10 1 43 14 19 ar 44 7 4 1 45 7 10 1 46 7 38 1 47 26 56 1 48 26 57 1 49 26 1 1 50 13 10 1 51 13 16 ar 52 18 1 1 53 18 21 ar 54 61 27 1 55 4 11 1 56 10 46 1 57 33 31 ar 58 33 68 1 59 48 11 1 60 20 16 ar 61 20 2 1 62 31 66 1 63 19 21 ar 64 19 53 1 65 21 54 1 66 16 51 1 67 60 27 1 68 11 47 1 69 11 49 1 70 27 2 1 71 27 59 1