@MOLECULE 4-benzyl-4-[3-(dimethylamino)propoxy]cycloheptanone 51 52 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.8522 0.8595 0.3781 O.3 1 UNL1111111111 -0.4331 2 O 0.5170 -3.8729 0.6380 O.2 1 UNL1111111111 -0.4862 3 N -5.0722 0.8040 -0.0106 N.3 1 UNL1111111111 -0.3918 4 C 0.4594 0.4268 0.0643 C.3 1 UNL1111111111 0.2935 5 C 0.5596 -0.1691 -1.3493 C.3 1 UNL1111111111 -0.3357 6 C 0.7250 -0.6087 1.1795 C.3 1 UNL1111111111 -0.2806 7 C 1.4343 1.6296 0.2125 C.3 1 UNL1111111111 -0.3716 8 C -0.5318 -1.2011 -1.6481 C.3 1 UNL1111111111 -0.2446 9 C -0.3051 -1.7386 1.2167 C.3 1 UNL1111111111 -0.3651 10 C -0.1249 -2.6154 -1.2411 C.3 1 UNL1111111111 -0.3808 11 C 0.0701 -2.8231 0.2400 C.2 1 UNL1111111111 0.4956 12 C 2.8668 1.2127 0.1271 C.ar 1 UNL1111111111 0.0239 13 C -1.4342 1.8626 -0.4406 C.3 1 UNL1111111111 -0.0367 14 C -2.8851 1.9310 0.0403 C.3 1 UNL1111111111 -0.2997 15 C 3.5725 0.8741 1.2846 C.ar 1 UNL1111111111 -0.1802 16 C 3.5087 1.1562 -1.1126 C.ar 1 UNL1111111111 -0.1857 17 C -3.6263 0.6239 -0.2950 C.3 1 UNL1111111111 -0.1103 18 C 4.8983 0.4567 1.2007 C.ar 1 UNL1111111111 -0.1267 19 C 4.8350 0.7387 -1.1942 C.ar 1 UNL1111111111 -0.1306 20 C 5.5301 0.3836 -0.0396 C.ar 1 UNL1111111111 -0.1629 21 C -5.3480 0.6996 1.4387 C.3 1 UNL1111111111 -0.2811 22 C -5.8729 -0.1949 -0.7530 C.3 1 UNL1111111111 -0.2828 23 H 0.5168 0.6425 -2.1001 H 1 UNL1111111111 0.1400 24 H 1.5620 -0.6261 -1.4750 H 1 UNL1111111111 0.1596 25 H 0.7148 -0.0836 2.1569 H 1 UNL1111111111 0.1549 26 H 1.7471 -1.0195 1.0638 H 1 UNL1111111111 0.1595 27 H 1.2218 2.1338 1.1785 H 1 UNL1111111111 0.1676 28 H 1.2062 2.3898 -0.5598 H 1 UNL1111111111 0.1547 29 H -1.4759 -0.9114 -1.1432 H 1 UNL1111111111 0.1530 30 H -0.7617 -1.1895 -2.7324 H 1 UNL1111111111 0.1339 31 H -0.3518 -2.1678 2.2408 H 1 UNL1111111111 0.1684 32 H -1.3219 -1.3485 1.0111 H 1 UNL1111111111 0.1748 33 H -0.8836 -3.3475 -1.5923 H 1 UNL1111111111 0.1686 34 H 0.8110 -2.9119 -1.7640 H 1 UNL1111111111 0.1729 35 H -1.3614 1.5882 -1.5056 H 1 UNL1111111111 0.1179 36 H -0.9099 2.8190 -0.2689 H 1 UNL1111111111 0.1162 37 H -2.9075 2.1133 1.1319 H 1 UNL1111111111 0.1540 38 H -3.4067 2.7887 -0.4259 H 1 UNL1111111111 0.1593 39 H 3.0854 0.9346 2.2556 H 1 UNL1111111111 0.1538 40 H 2.9747 1.4388 -2.0165 H 1 UNL1111111111 0.1491 41 H -3.1741 -0.2215 0.2676 H 1 UNL1111111111 0.1248 42 H -3.5003 0.3983 -1.3763 H 1 UNL1111111111 0.1313 43 H 5.4411 0.1863 2.1048 H 1 UNL1111111111 0.1491 44 H 5.3291 0.6900 -2.1624 H 1 UNL1111111111 0.1465 45 H 6.5638 0.0528 -0.1066 H 1 UNL1111111111 0.1482 46 H -4.7864 1.4848 1.9710 H 1 UNL1111111111 0.1450 47 H -6.4188 0.8925 1.6150 H 1 UNL1111111111 0.1432 48 H -5.0891 -0.2729 1.8831 H 1 UNL1111111111 0.1204 49 H -5.6359 -1.2413 -0.5119 H 1 UNL1111111111 0.1196 50 H -5.7269 -0.0388 -1.8345 H 1 UNL1111111111 0.1428 51 H -6.9421 -0.0236 -0.5462 H 1 UNL1111111111 0.1443 @BOND 1 1 4 1 2 1 13 1 3 2 11 2 4 3 17 1 5 3 21 1 6 3 22 1 7 4 5 1 8 4 6 1 9 4 7 1 10 5 8 1 11 5 23 1 12 5 24 1 13 6 9 1 14 6 25 1 15 6 26 1 16 7 12 1 17 7 27 1 18 7 28 1 19 8 10 1 20 8 29 1 21 8 30 1 22 9 11 1 23 9 31 1 24 9 32 1 25 10 11 1 26 10 33 1 27 10 34 1 28 12 15 ar 29 12 16 ar 30 13 14 1 31 13 35 1 32 13 36 1 33 14 17 1 34 14 37 1 35 14 38 1 36 15 18 ar 37 15 39 1 38 16 19 ar 39 16 40 1 40 17 41 1 41 17 42 1 42 18 20 ar 43 18 43 1 44 19 20 ar 45 19 44 1 46 20 45 1 47 21 46 1 48 21 47 1 49 21 48 1 50 22 49 1 51 22 50 1 52 22 51 1