@MOLECULE dimethyl 4-{3-[({3-[4-(3-methoxyphenyl)-1-piperidinyl]propyl}carbamoyl)amino]phenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate 85 88 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.5689 -3.1558 2.1346 O.3 1 UNL11 -0.3679 2 O -1.0903 1.2171 1.5362 O.2 1 UNL11 -0.5597 3 O 4.8314 -0.8368 2.0633 O.3 1 UNL11 -0.4328 4 O 2.2711 0.9917 -3.3228 O.3 1 UNL11 -0.3858 5 O 5.5369 0.2291 0.2262 O.2 1 UNL11 -0.5238 6 O 0.4344 -0.2583 -3.6349 O.2 1 UNL11 -0.5621 7 N -4.3494 1.5427 -0.2492 N.3 1 UNL11 -0.4599 8 N -2.3190 3.0807 2.1018 N.am 1 UNL11 -0.6097 9 N 1.5110 -2.2811 -0.0123 N.pl3 1 UNL11 -0.4787 10 N -0.2785 3.3172 0.9910 N.am 1 UNL11 -0.5998 11 C -3.7358 -1.1202 -1.0705 C.3 1 UNL11 -0.1109 12 C -2.7699 0.0600 -1.3034 C.3 1 UNL11 -0.2836 13 C -4.8596 -0.7991 -0.0590 C.3 1 UNL11 -0.2771 14 C -3.5114 1.4024 -1.4546 C.3 1 UNL11 -0.0856 15 C -5.4738 0.5917 -0.3051 C.3 1 UNL11 -0.0956 16 C -4.7120 2.9140 0.1249 C.3 1 UNL11 -0.0940 17 C -2.9798 -2.3010 -0.5135 C.ar 1 UNL11 0.0765 18 C -4.7723 2.9804 1.6726 C.3 1 UNL11 -0.3189 19 C -2.1636 -2.1255 0.6075 C.ar 1 UNL11 -0.3082 20 C -3.1100 -3.5660 -1.0878 C.ar 1 UNL11 -0.2545 21 C -3.5521 2.3132 2.3373 C.3 1 UNL11 -0.0442 22 C -1.4717 -3.2186 1.1157 C.ar 1 UNL11 0.2442 23 C -2.4276 -4.6569 -0.5453 C.ar 1 UNL11 -0.0757 24 C -1.5960 -4.4986 0.5562 C.ar 1 UNL11 -0.2902 25 C 2.9486 0.0175 -0.9609 C.3 1 UNL11 -0.0292 26 C 3.3864 -0.8142 0.2178 C.2 1 UNL11 -0.3273 27 C 1.8119 -0.6154 -1.7072 C.2 1 UNL11 -0.3269 28 C 2.5722 1.3945 -0.4498 C.ar 1 UNL11 0.0560 29 C -1.2241 2.4245 1.5295 C.2 1 UNL11 0.7381 30 C 2.6300 -1.8379 0.6929 C.2 1 UNL11 0.3349 31 C 1.1518 -1.7066 -1.2317 C.2 1 UNL11 0.3414 32 C 1.3035 1.6519 0.0678 C.ar 1 UNL11 -0.2240 33 C 1.0068 2.9386 0.5275 C.ar 1 UNL11 0.2356 34 C 3.5387 2.4021 -0.4960 C.ar 1 UNL11 -0.2065 35 C -0.4978 -1.9278 2.8552 C.3 1 UNL11 -0.1949 36 C 4.6679 -0.4059 0.7740 C.2 1 UNL11 0.6373 37 C 1.4049 0.0056 -2.9588 C.2 1 UNL11 0.6365 38 C 2.9162 -2.6018 1.9400 C.3 1 UNL11 -0.4805 39 C 0.0478 -2.3866 -1.9564 C.3 1 UNL11 -0.4924 40 C 1.9753 3.9571 0.4829 C.ar 1 UNL11 -0.2833 41 C 3.2368 3.6769 -0.0298 C.ar 1 UNL11 -0.0905 42 C 6.0348 -0.4225 2.6977 C.3 1 UNL11 -0.1673 43 C 1.9042 1.7355 -4.4781 C.3 1 UNL11 -0.1742 44 H -4.2064 -1.3781 -2.0496 H 1 UNL11 0.1393 45 H -2.0653 0.1609 -0.4476 H 1 UNL11 0.1757 46 H -2.1471 -0.1259 -2.1989 H 1 UNL11 0.1507 47 H -4.4507 -0.8236 0.9717 H 1 UNL11 0.1552 48 H -5.6410 -1.5761 -0.1043 H 1 UNL11 0.1320 49 H -4.0929 1.4322 -2.3985 H 1 UNL11 0.1086 50 H -2.7695 2.2282 -1.5011 H 1 UNL11 0.1369 51 H -6.0211 0.6171 -1.2705 H 1 UNL11 0.1115 52 H -6.2110 0.8251 0.4900 H 1 UNL11 0.1261 53 H -5.6776 3.2524 -0.3040 H 1 UNL11 0.1114 54 H -3.9366 3.6196 -0.2435 H 1 UNL11 0.1329 55 H -5.6856 2.4666 2.0277 H 1 UNL11 0.1463 56 H -4.8704 4.0317 1.9930 H 1 UNL11 0.1336 57 H -2.0722 -1.1343 1.0616 H 1 UNL11 0.2001 58 H -3.7471 -3.7084 -1.9560 H 1 UNL11 0.1569 59 H -3.4329 1.2671 1.9495 H 1 UNL11 0.1941 60 H -3.7026 2.2440 3.4378 H 1 UNL11 0.1318 61 H -2.5475 -5.6434 -0.9923 H 1 UNL11 0.1470 62 H -1.0619 -5.3372 0.9896 H 1 UNL11 0.1669 63 H -2.4550 4.0667 1.9435 H 1 UNL11 0.2932 64 H 3.8232 0.1193 -1.6721 H 1 UNL11 0.1814 65 H 0.5556 0.8590 0.1061 H 1 UNL11 0.1948 66 H 0.8731 -2.9324 0.4395 H 1 UNL11 0.3365 67 H -0.3872 4.3075 1.1867 H 1 UNL11 0.3017 68 H 4.5335 2.1846 -0.8878 H 1 UNL11 0.1753 69 H -0.1934 -1.0964 2.2018 H 1 UNL11 0.1661 70 H -1.4544 -1.7082 3.3387 H 1 UNL11 0.1393 71 H 0.2750 -2.1377 3.6034 H 1 UNL11 0.1448 72 H 2.9027 -1.9310 2.8190 H 1 UNL11 0.1911 73 H 3.9276 -3.0439 1.9152 H 1 UNL11 0.1860 74 H 2.2089 -3.4180 2.1427 H 1 UNL11 0.1646 75 H 0.3309 -2.6097 -3.0014 H 1 UNL11 0.1933 76 H -0.8384 -1.7249 -2.0401 H 1 UNL11 0.2039 77 H -0.2910 -3.3264 -1.5005 H 1 UNL11 0.1670 78 H 1.7499 4.9541 0.8441 H 1 UNL11 0.1459 79 H 3.9922 4.4597 -0.0653 H 1 UNL11 0.1436 80 H 6.9047 -0.7826 2.1384 H 1 UNL11 0.1383 81 H 6.0596 0.6703 2.7713 H 1 UNL11 0.1401 82 H 5.9713 -0.8885 3.6859 H 1 UNL11 0.1360 83 H 1.8148 1.0767 -5.3476 H 1 UNL11 0.1358 84 H 0.9607 2.2619 -4.2994 H 1 UNL11 0.1374 85 H 2.7378 2.4378 -4.5898 H 1 UNL11 0.1424 @BOND 1 1 22 1 2 1 35 1 3 2 29 2 4 3 36 1 5 3 42 1 6 4 37 1 7 4 43 1 8 5 36 2 9 6 37 2 10 7 14 1 11 7 15 1 12 7 16 1 13 8 21 1 14 8 29 am 15 8 63 1 16 9 30 1 17 9 31 1 18 9 66 1 19 10 29 am 20 10 33 1 21 10 67 1 22 11 12 1 23 11 13 1 24 11 17 1 25 11 44 1 26 12 14 1 27 12 45 1 28 12 46 1 29 13 15 1 30 13 47 1 31 13 48 1 32 14 49 1 33 14 50 1 34 15 51 1 35 15 52 1 36 16 18 1 37 16 53 1 38 16 54 1 39 17 19 ar 40 17 20 ar 41 18 21 1 42 18 55 1 43 18 56 1 44 19 22 ar 45 19 57 1 46 20 23 ar 47 20 58 1 48 21 59 1 49 21 60 1 50 22 24 ar 51 23 24 ar 52 23 61 1 53 24 62 1 54 25 26 1 55 25 27 1 56 25 28 1 57 25 64 1 58 26 30 2 59 26 36 1 60 27 31 2 61 27 37 1 62 28 32 ar 63 28 34 ar 64 30 38 1 65 31 39 1 66 32 33 ar 67 32 65 1 68 33 40 ar 69 34 41 ar 70 34 68 1 71 35 69 1 72 35 70 1 73 35 71 1 74 38 72 1 75 38 73 1 76 38 74 1 77 39 75 1 78 39 76 1 79 39 77 1 80 40 41 ar 81 40 78 1 82 41 79 1 83 42 80 1 84 42 81 1 85 42 82 1 86 43 83 1 87 43 84 1 88 43 85 1