@MOLECULE n-{1-[2-(4-isothiocyanatophenyl)ethyl]-4-piperidinyl}-n-phenylpropanamide 55 57 0 0 0 SMALL GASTEIGER @ATOM 1 S 10.0983 -0.4694 -0.7916 S.2 1 UNL1111 -0.2376 2 O -4.8218 -2.8565 -0.1318 O.2 1 UNL1111 -0.5288 3 N -0.1500 -0.0739 -0.0983 N.3 1 UNL1111 -0.4313 4 N -4.3973 -0.6483 -0.1798 N.am 1 UNL1111 -0.5628 5 N 7.5798 0.0915 0.1612 N.2 1 UNL1111 -0.4014 6 C -2.9432 -0.8828 -0.2072 C.3 1 UNL1111 0.1157 7 C -2.2762 -0.1075 -1.3595 C.3 1 UNL1111 -0.3204 8 C -2.2733 -0.4577 1.1144 C.3 1 UNL1111 -0.3244 9 C -0.7786 -0.4534 -1.3894 C.3 1 UNL1111 -0.1034 10 C -0.7755 -0.7964 1.0385 C.3 1 UNL1111 -0.1027 11 C 1.3113 -0.3226 -0.1393 C.3 1 UNL1111 -0.1042 12 C 1.9998 0.6496 0.8468 C.3 1 UNL1111 -0.2971 13 C -4.8689 0.6966 -0.0942 C.ar 1 UNL1111 0.1891 14 C -5.2732 -1.7309 -0.1242 C.2 1 UNL1111 0.6007 15 C 3.4801 0.5286 0.6895 C.ar 1 UNL1111 0.0049 16 C -6.7498 -1.4133 -0.0796 C.3 1 UNL1111 -0.3375 17 C -5.0733 1.2867 1.1589 C.ar 1 UNL1111 -0.1981 18 C -5.1326 1.4081 -1.2709 C.ar 1 UNL1111 -0.1919 19 C -7.5587 -2.7052 -0.0710 C.3 1 UNL1111 -0.4139 20 C 4.1745 -0.4714 1.3768 C.ar 1 UNL1111 -0.1445 21 C 4.1690 1.3914 -0.1675 C.ar 1 UNL1111 -0.1400 22 C -5.5382 2.5968 1.2271 C.ar 1 UNL1111 -0.1231 23 C -5.5966 2.7174 -1.1857 C.ar 1 UNL1111 -0.1245 24 C -5.7992 3.3116 0.0590 C.ar 1 UNL1111 -0.1614 25 C 5.5442 -0.6268 1.2051 C.ar 1 UNL1111 -0.1771 26 C 5.5389 1.2545 -0.3569 C.ar 1 UNL1111 -0.1847 27 C 6.2196 0.2354 0.3271 C.ar 1 UNL1111 0.2232 28 C 8.6373 -0.1748 -0.3175 C.1 1 UNL1111 0.3403 29 H -2.7865 -1.9898 -0.3629 H 1 UNL1111 0.1738 30 H -2.7482 -0.3568 -2.3250 H 1 UNL1111 0.1474 31 H -2.4048 0.9831 -1.2155 H 1 UNL1111 0.1615 32 H -2.4055 0.6282 1.2823 H 1 UNL1111 0.1597 33 H -2.7399 -0.9712 1.9725 H 1 UNL1111 0.1479 34 H -0.2851 0.1357 -2.1945 H 1 UNL1111 0.1391 35 H -0.6413 -1.5288 -1.6341 H 1 UNL1111 0.1178 36 H -0.6392 -1.8980 0.9725 H 1 UNL1111 0.1179 37 H -0.2764 -0.4597 1.9735 H 1 UNL1111 0.1375 38 H 1.6946 -0.1238 -1.1646 H 1 UNL1111 0.1402 39 H 1.5844 -1.3711 0.1024 H 1 UNL1111 0.1203 40 H 1.6826 0.4376 1.8861 H 1 UNL1111 0.1538 41 H 1.6410 1.6821 0.6492 H 1 UNL1111 0.1707 42 H -6.9817 -0.8045 0.8187 H 1 UNL1111 0.1657 43 H -7.0305 -0.7857 -0.9511 H 1 UNL1111 0.1666 44 H -4.8666 0.7234 2.0668 H 1 UNL1111 0.1662 45 H -4.9732 0.9369 -2.2391 H 1 UNL1111 0.1672 46 H -7.3570 -3.3075 -0.9677 H 1 UNL1111 0.1584 47 H -7.2929 -3.3360 0.7888 H 1 UNL1111 0.1590 48 H -8.6341 -2.5069 -0.0287 H 1 UNL1111 0.1411 49 H 3.6375 -1.1376 2.0523 H 1 UNL1111 0.1615 50 H 3.6267 2.1765 -0.6956 H 1 UNL1111 0.1640 51 H -5.6979 3.0643 2.1978 H 1 UNL1111 0.1528 52 H -5.8024 3.2787 -2.0961 H 1 UNL1111 0.1525 53 H -6.1622 4.3355 0.1190 H 1 UNL1111 0.1514 54 H 6.0885 -1.4032 1.7401 H 1 UNL1111 0.1723 55 H 6.0776 1.9245 -1.0245 H 1 UNL1111 0.1709 @BOND 1 1 28 2 2 2 14 2 3 3 9 1 4 3 10 1 5 3 11 1 6 4 6 1 7 4 13 1 8 4 14 am 9 5 27 1 10 5 28 2 11 6 7 1 12 6 8 1 13 6 29 1 14 7 9 1 15 7 30 1 16 7 31 1 17 8 10 1 18 8 32 1 19 8 33 1 20 9 34 1 21 9 35 1 22 10 36 1 23 10 37 1 24 11 12 1 25 11 38 1 26 11 39 1 27 12 15 1 28 12 40 1 29 12 41 1 30 13 17 ar 31 13 18 ar 32 14 16 1 33 15 20 ar 34 15 21 ar 35 16 19 1 36 16 42 1 37 16 43 1 38 17 22 ar 39 17 44 1 40 18 23 ar 41 18 45 1 42 19 46 1 43 19 47 1 44 19 48 1 45 20 25 ar 46 20 49 1 47 21 26 ar 48 21 50 1 49 22 24 ar 50 22 51 1 51 23 24 ar 52 23 52 1 53 24 53 1 54 25 27 ar 55 25 54 1 56 26 27 ar 57 26 55 1