@MOLECULE n-[1-(3-methylbutyl)-4-piperidinyl]-n-{4-[methyl(4-pyridinyl)amino]benzyl}-4-pentylbenzamide 88 91 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.2950 -2.8354 1.1948 O.2 1 UNL1111111111 -0.5026 2 C 0.9728 -2.2817 0.3537 C.2 1 UNL1111111111 0.5764 3 C 2.4375 -2.0931 0.5611 C.ar 1 UNL1111111111 -0.1346 4 C 2.8565 -1.2363 1.5776 C.ar 1 UNL1111111111 -0.1057 5 C 4.2176 -1.0580 1.8087 C.ar 1 UNL1111111111 -0.1872 6 C 5.1551 -1.7505 1.0385 C.ar 1 UNL1111111111 0.0443 7 C 6.6200 -1.5364 1.2610 C.3 1 UNL1111111111 -0.2983 8 C 7.1361 -0.4718 0.2791 C.3 1 UNL1111111111 -0.2652 9 C 8.6376 -0.2376 0.4740 C.3 1 UNL1111111111 -0.2725 10 C 9.1565 0.8065 -0.5239 C.3 1 UNL1111111111 -0.2508 11 C 10.6498 1.0593 -0.3184 C.3 1 UNL1111111111 -0.4404 12 C 4.7246 -2.6343 0.0448 C.ar 1 UNL1111111111 -0.1880 13 C 3.3648 -2.8085 -0.1940 C.ar 1 UNL1111111111 -0.1137 14 N 0.4176 -1.8673 -0.8518 N.am 1 UNL1111111111 -0.5148 15 C -1.0518 -1.8888 -1.0264 C.3 1 UNL1111111111 0.1150 16 C -1.7868 -1.0488 0.0372 C.3 1 UNL1111111111 -0.3257 17 C -3.2904 -1.0563 -0.2790 C.3 1 UNL1111111111 -0.1020 18 N -3.7993 -2.4501 -0.2573 N.3 1 UNL1111111111 -0.4283 19 C -5.2692 -2.4810 -0.4700 C.3 1 UNL1111111111 -0.1128 20 C -5.9620 -2.1239 0.8587 C.3 1 UNL1111111111 -0.2924 21 C -7.4826 -2.3537 0.8286 C.3 1 UNL1111111111 -0.0654 22 C -7.8251 -3.8380 0.6540 C.3 1 UNL1111111111 -0.4532 23 C -8.1564 -1.5176 -0.2660 C.3 1 UNL1111111111 -0.4552 24 C -3.1061 -3.2954 -1.2616 C.3 1 UNL1111111111 -0.1115 25 C -1.5967 -3.3273 -0.9642 C.3 1 UNL1111111111 -0.3137 26 C 1.1333 -0.9346 -1.7376 C.3 1 UNL1111111111 -0.0820 27 C 0.7548 0.4978 -1.4515 C.ar 1 UNL1111111111 -0.0426 28 C 1.3789 1.1881 -0.4123 C.ar 1 UNL1111111111 -0.1411 29 C 0.9460 2.4617 -0.0572 C.ar 1 UNL1111111111 -0.1539 30 C -0.2591 1.1102 -2.1909 C.ar 1 UNL1111111111 -0.1359 31 C -0.7023 2.3823 -1.8469 C.ar 1 UNL1111111111 -0.1941 32 C -0.1150 3.0404 -0.7604 C.ar 1 UNL1111111111 0.1469 33 N -0.5925 4.3223 -0.3119 N.pl3 1 UNL1111111111 -0.4136 34 C -0.1689 5.4377 -1.1718 C.3 1 UNL1111111111 -0.2422 35 C -1.8695 4.3493 0.2577 C.ar 1 UNL1111111111 0.2863 36 C -2.3833 3.1888 0.8774 C.ar 1 UNL1111111111 -0.3566 37 C -2.6275 5.5331 0.3286 C.ar 1 UNL1111111111 -0.3739 38 C -3.8451 5.5049 1.0134 C.ar 1 UNL1111111111 0.1069 39 N -4.3382 4.3996 1.6016 N.ar 1 UNL1111111111 -0.4295 40 C -3.6099 3.2653 1.5316 C.ar 1 UNL1111111111 0.1103 41 H 2.1198 -0.7200 2.1958 H 1 UNL1111111111 0.1670 42 H 4.5505 -0.3817 2.5933 H 1 UNL1111111111 0.1573 43 H 6.8276 -1.2231 2.3037 H 1 UNL1111111111 0.1510 44 H 7.1832 -2.4821 1.1268 H 1 UNL1111111111 0.1514 45 H 6.5792 0.4736 0.4228 H 1 UNL1111111111 0.1420 46 H 6.9302 -0.7878 -0.7612 H 1 UNL1111111111 0.1406 47 H 8.8403 0.0964 1.5087 H 1 UNL1111111111 0.1385 48 H 9.1918 -1.1865 0.3484 H 1 UNL1111111111 0.1382 49 H 8.5939 1.7522 -0.4096 H 1 UNL1111111111 0.1341 50 H 8.9696 0.4664 -1.5599 H 1 UNL1111111111 0.1339 51 H 11.2340 0.1420 -0.4521 H 1 UNL1111111111 0.1430 52 H 11.0300 1.7980 -1.0327 H 1 UNL1111111111 0.1415 53 H 10.8573 1.4384 0.6885 H 1 UNL1111111111 0.1431 54 H 5.4541 -3.1878 -0.5424 H 1 UNL1111111111 0.1548 55 H 3.0258 -3.5039 -0.9618 H 1 UNL1111111111 0.1598 56 H -1.2720 -1.4672 -2.0440 H 1 UNL1111111111 0.1263 57 H -1.4005 -0.0172 0.0677 H 1 UNL1111111111 0.1418 58 H -1.6154 -1.4838 1.0459 H 1 UNL1111111111 0.1872 59 H -3.8327 -0.4848 0.5073 H 1 UNL1111111111 0.1432 60 H -3.4837 -0.5428 -1.2448 H 1 UNL1111111111 0.1067 61 H -5.5687 -3.5074 -0.7727 H 1 UNL1111111111 0.1345 62 H -5.6017 -1.7986 -1.2788 H 1 UNL1111111111 0.1117 63 H -5.7539 -1.0700 1.1217 H 1 UNL1111111111 0.1398 64 H -5.5059 -2.7277 1.6703 H 1 UNL1111111111 0.1589 65 H -7.8873 -2.0201 1.8186 H 1 UNL1111111111 0.1285 66 H -7.5483 -4.2062 -0.3388 H 1 UNL1111111111 0.1414 67 H -7.2993 -4.4550 1.3914 H 1 UNL1111111111 0.1464 68 H -8.8988 -4.0124 0.7787 H 1 UNL1111111111 0.1394 69 H -7.8843 -0.4598 -0.1821 H 1 UNL1111111111 0.1448 70 H -9.2474 -1.5856 -0.1980 H 1 UNL1111111111 0.1407 71 H -7.8721 -1.8553 -1.2674 H 1 UNL1111111111 0.1410 72 H -3.2861 -2.9587 -2.3041 H 1 UNL1111111111 0.1044 73 H -3.5136 -4.3273 -1.1736 H 1 UNL1111111111 0.1388 74 H -1.4269 -3.7563 0.0483 H 1 UNL1111111111 0.1924 75 H -1.0705 -3.9855 -1.6725 H 1 UNL1111111111 0.1393 76 H 0.8987 -1.2100 -2.7942 H 1 UNL1111111111 0.1507 77 H 2.2354 -1.0748 -1.6392 H 1 UNL1111111111 0.1612 78 H 2.1982 0.7233 0.1380 H 1 UNL1111111111 0.1650 79 H 1.4079 3.0004 0.7700 H 1 UNL1111111111 0.1738 80 H -0.7207 0.5885 -3.0283 H 1 UNL1111111111 0.1554 81 H -1.5110 2.8543 -2.4010 H 1 UNL1111111111 0.1637 82 H -0.8429 5.6049 -2.0283 H 1 UNL1111111111 0.1375 83 H 0.8461 5.2420 -1.5620 H 1 UNL1111111111 0.1569 84 H -0.1150 6.3633 -0.5694 H 1 UNL1111111111 0.1585 85 H -1.8310 2.2545 0.8590 H 1 UNL1111111111 0.1810 86 H -2.2871 6.4535 -0.1263 H 1 UNL1111111111 0.1690 87 H -4.4686 6.4032 1.0984 H 1 UNL1111111111 0.1643 88 H -4.0501 2.3910 2.0287 H 1 UNL1111111111 0.1729 @BOND 1 1 2 2 2 2 3 1 3 2 14 am 4 3 13 ar 5 3 4 ar 6 4 5 ar 7 4 41 1 8 5 6 ar 9 5 42 1 10 6 12 ar 11 6 7 1 12 7 8 1 13 7 43 1 14 7 44 1 15 8 9 1 16 8 45 1 17 8 46 1 18 9 10 1 19 9 47 1 20 9 48 1 21 10 11 1 22 10 49 1 23 10 50 1 24 11 51 1 25 11 52 1 26 11 53 1 27 12 13 ar 28 12 54 1 29 13 55 1 30 14 15 1 31 14 26 1 32 15 16 1 33 15 25 1 34 15 56 1 35 16 17 1 36 16 57 1 37 16 58 1 38 17 18 1 39 17 59 1 40 17 60 1 41 18 19 1 42 18 24 1 43 19 20 1 44 19 61 1 45 19 62 1 46 20 21 1 47 20 63 1 48 20 64 1 49 21 23 1 50 21 22 1 51 21 65 1 52 22 66 1 53 22 67 1 54 22 68 1 55 23 69 1 56 23 70 1 57 23 71 1 58 24 25 1 59 24 72 1 60 24 73 1 61 25 74 1 62 25 75 1 63 26 27 1 64 26 76 1 65 26 77 1 66 27 30 ar 67 27 28 ar 68 28 29 ar 69 28 78 1 70 29 32 ar 71 29 79 1 72 30 31 ar 73 30 80 1 74 31 32 ar 75 31 81 1 76 32 33 1 77 33 34 1 78 33 35 1 79 34 82 1 80 34 83 1 81 34 84 1 82 35 36 ar 83 35 37 ar 84 36 40 ar 85 36 85 1 86 37 38 ar 87 37 86 1 88 38 39 ar 89 38 87 1 90 39 40 ar 91 40 88 1