@MOLECULE (+)-1-(4-(ethyl(p-methoxy-a-methylphenethyl)amino)butyryl)-n,n-dimethylisonipecotamide 69 70 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.7805 3.1072 0.6822 O.2 1 UNL1111111111 -0.5460 2 O -2.5382 -2.3856 0.6242 O.2 1 UNL1111111111 -0.5458 3 O 7.2937 -2.0487 -0.4549 O.3 1 UNL1111111111 -0.3211 4 N -3.7130 1.8213 -1.1687 N.am 1 UNL1111111111 -0.4919 5 N 0.5011 1.3662 0.7496 N.3 1 UNL1111111111 -0.4677 6 N -4.4448 -3.3847 -0.0151 N.am 1 UNL1111111111 -0.4705 7 C -3.9155 -1.0743 -0.8346 C.3 1 UNL1111111111 -0.1788 8 C -4.7500 -0.1051 0.0172 C.3 1 UNL1111111111 -0.3121 9 C -2.6051 -0.4013 -1.2714 C.3 1 UNL1111111111 -0.3091 10 C -4.9893 1.2074 -0.7566 C.3 1 UNL1111111111 -0.0692 11 C -2.9193 0.9112 -2.0093 C.3 1 UNL1111111111 -0.0719 12 C -3.0999 2.6511 -0.2158 C.2 1 UNL1111111111 0.5907 13 C -3.5809 -2.2990 0.0026 C.2 1 UNL1111111111 0.5598 14 C -1.6556 3.0439 -0.3992 C.3 1 UNL1111111111 -0.3591 15 C -1.0146 3.3098 0.9697 C.3 1 UNL1111111111 -0.2547 16 C 0.4507 2.8280 0.9982 C.3 1 UNL1111111111 -0.1101 17 C 1.7550 0.9229 0.1059 C.3 1 UNL1111111111 0.0943 18 C 3.0479 1.4073 0.8234 C.3 1 UNL1111111111 -0.3442 19 C 0.1874 0.6083 1.9893 C.3 1 UNL1111111111 -0.0846 20 C 1.7591 1.3748 -1.3651 C.3 1 UNL1111111111 -0.4594 21 C 4.1978 0.5269 0.4561 C.ar 1 UNL1111111111 -0.0508 22 C -0.0708 -0.8691 1.6835 C.3 1 UNL1111111111 -0.4534 23 C -5.8466 -3.2682 -0.4144 C.3 1 UNL1111111111 -0.2342 24 C -4.1645 -4.4942 0.9043 C.3 1 UNL1111111111 -0.2332 25 C 4.3229 -0.7335 1.0571 C.ar 1 UNL1111111111 -0.1122 26 C 5.1379 0.9407 -0.4848 C.ar 1 UNL1111111111 -0.1089 27 C 5.3746 -1.5714 0.7236 C.ar 1 UNL1111111111 -0.2344 28 C 6.2064 0.1147 -0.8355 C.ar 1 UNL1111111111 -0.2873 29 C 6.3130 -1.1326 -0.2252 C.ar 1 UNL1111111111 0.2362 30 C 8.3006 -1.6992 -1.3929 C.3 1 UNL1111111111 -0.2020 31 H -4.4879 -1.3673 -1.7466 H 1 UNL1111111111 0.1503 32 H -4.2176 0.1203 0.9659 H 1 UNL1111111111 0.1722 33 H -5.7139 -0.5544 0.3074 H 1 UNL1111111111 0.1385 34 H -1.9642 -0.1956 -0.3819 H 1 UNL1111111111 0.1890 35 H -2.0092 -1.0785 -1.9074 H 1 UNL1111111111 0.1523 36 H -5.5599 1.9288 -0.1243 H 1 UNL1111111111 0.1699 37 H -5.5988 1.0255 -1.6670 H 1 UNL1111111111 0.1329 38 H -3.5036 0.7082 -2.9361 H 1 UNL1111111111 0.1403 39 H -1.9829 1.4078 -2.3412 H 1 UNL1111111111 0.1428 40 H -1.0756 2.2447 -0.9143 H 1 UNL1111111111 0.1895 41 H -1.5967 3.9388 -1.0468 H 1 UNL1111111111 0.1621 42 H -1.5947 2.8043 1.7693 H 1 UNL1111111111 0.1611 43 H -1.0634 4.3861 1.2155 H 1 UNL1111111111 0.1420 44 H 1.0215 3.3600 0.2076 H 1 UNL1111111111 0.1350 45 H 0.9168 3.1111 1.9659 H 1 UNL1111111111 0.1139 46 H 1.7485 -0.2022 0.1149 H 1 UNL1111111111 0.1505 47 H 3.2508 2.4638 0.5714 H 1 UNL1111111111 0.1468 48 H 2.8921 1.3961 1.9209 H 1 UNL1111111111 0.1530 49 H 0.9828 0.7069 2.7585 H 1 UNL1111111111 0.1065 50 H -0.7384 1.0504 2.4254 H 1 UNL1111111111 0.1386 51 H 2.6164 0.9419 -1.8925 H 1 UNL1111111111 0.1472 52 H 0.8460 1.0389 -1.8707 H 1 UNL1111111111 0.1525 53 H 1.8157 2.4611 -1.4703 H 1 UNL1111111111 0.1398 54 H -0.6260 -0.9941 0.7403 H 1 UNL1111111111 0.1745 55 H 0.8505 -1.4508 1.6001 H 1 UNL1111111111 0.1389 56 H -0.6919 -1.3336 2.4582 H 1 UNL1111111111 0.1544 57 H -6.2586 -4.2686 -0.6406 H 1 UNL1111111111 0.1502 58 H -6.4698 -2.8133 0.3757 H 1 UNL1111111111 0.1364 59 H -5.9476 -2.6668 -1.3341 H 1 UNL1111111111 0.1470 60 H -4.4697 -5.4482 0.4446 H 1 UNL1111111111 0.1391 61 H -3.0760 -4.5533 1.1101 H 1 UNL1111111111 0.1781 62 H -4.6820 -4.3734 1.8698 H 1 UNL1111111111 0.1334 63 H 3.5846 -1.0560 1.7915 H 1 UNL1111111111 0.1564 64 H 5.0430 1.9184 -0.9550 H 1 UNL1111111111 0.1490 65 H 5.4874 -2.5518 1.1789 H 1 UNL1111111111 0.1709 66 H 6.9300 0.4520 -1.5678 H 1 UNL1111111111 0.1583 67 H 7.8727 -1.5499 -2.3888 H 1 UNL1111111111 0.1327 68 H 8.8575 -0.8182 -1.0595 H 1 UNL1111111111 0.1334 69 H 8.9463 -2.5880 -1.3820 H 1 UNL1111111111 0.1518 @BOND 1 1 12 2 2 2 13 2 3 3 29 1 4 3 30 1 5 4 10 1 6 4 11 1 7 4 12 am 8 5 16 1 9 5 17 1 10 5 19 1 11 6 13 am 12 6 23 1 13 6 24 1 14 7 8 1 15 7 9 1 16 7 13 1 17 7 31 1 18 8 10 1 19 8 32 1 20 8 33 1 21 9 11 1 22 9 34 1 23 9 35 1 24 10 36 1 25 10 37 1 26 11 38 1 27 11 39 1 28 12 14 1 29 14 15 1 30 14 40 1 31 14 41 1 32 15 16 1 33 15 42 1 34 15 43 1 35 16 44 1 36 16 45 1 37 17 18 1 38 17 20 1 39 17 46 1 40 18 21 1 41 18 47 1 42 18 48 1 43 19 22 1 44 19 49 1 45 19 50 1 46 20 51 1 47 20 52 1 48 20 53 1 49 21 25 ar 50 21 26 ar 51 22 54 1 52 22 55 1 53 22 56 1 54 23 57 1 55 23 58 1 56 23 59 1 57 24 60 1 58 24 61 1 59 24 62 1 60 25 27 ar 61 25 63 1 62 26 28 ar 63 26 64 1 64 27 29 ar 65 27 65 1 66 28 29 ar 67 28 66 1 68 30 67 1 69 30 68 1 70 30 69 1