@MOLECULE n-{(3r,4s)-4-[(6-amino-4-methyl-2-pyridinyl)methyl]-3-pyrrolidinyl}-n'-(3-chlorobenzyl)-1,2-ethanediamine 54 56 0 0 0 SMALL GASTEIGER @ATOM 1 C 7.4017 1.3491 0.2506 C.ar 1 UNL1111111111 -0.4203 2 C 6.2584 2.1354 0.1507 C.ar 1 UNL1111111111 0.2013 3 C 5.0036 1.5657 0.3932 C.ar 1 UNL1111111111 -0.3978 4 C 4.9332 0.2087 0.7342 C.ar 1 UNL1111111111 0.2870 5 N 6.0212 -0.5759 0.8471 N.ar 1 UNL1111111111 -0.5289 6 C 7.2398 -0.0127 0.5933 C.ar 1 UNL1111111111 0.4365 7 C 3.6102 -0.4592 0.9880 C.3 1 UNL1111111111 -0.3168 8 C 2.9638 -0.8467 -0.3469 C.3 1 UNL1111111111 -0.1536 9 C 1.4852 -1.2896 -0.1489 C.3 1 UNL1111111111 0.0100 10 C 1.3606 -2.5760 -1.0225 C.3 1 UNL1111111111 -0.1327 11 N 2.7064 -3.1922 -1.0657 N.3 1 UNL1111111111 -0.5174 12 C 3.6674 -2.0617 -1.0142 C.3 1 UNL1111111111 -0.1253 13 N 0.5632 -0.2512 -0.6496 N.3 1 UNL1111111111 -0.5701 14 C -0.8176 -0.4336 -0.1538 C.3 1 UNL1111111111 -0.1165 15 C -1.7148 0.5894 -0.8915 C.3 1 UNL1111111111 -0.1174 16 N -3.0961 0.4185 -0.3917 N.3 1 UNL1111111111 -0.5403 17 C -4.0620 1.2041 -1.1982 C.3 1 UNL1111111111 -0.1259 18 C -5.4269 1.1303 -0.5689 C.ar 1 UNL1111111111 0.0070 19 C -6.2207 2.2753 -0.4765 C.ar 1 UNL1111111111 -0.1889 20 C -7.4922 2.2062 0.0916 C.ar 1 UNL1111111111 -0.1175 21 C -7.9816 0.9948 0.5774 C.ar 1 UNL1111111111 -0.1816 22 C -7.1709 -0.1280 0.4713 C.ar 1 UNL1111111111 0.0303 23 C -5.9054 -0.0931 -0.0940 C.ar 1 UNL1111111111 -0.1726 24 CL -7.7585 -1.6233 1.0634 Cl 1 UNL1111111111 -0.0902 25 C 6.3621 3.5797 -0.1993 C.3 1 UNL1111111111 -0.4694 26 N 8.3092 -0.8822 0.6506 N.pl3 1 UNL1111111111 -0.6116 27 H 8.3843 1.7578 0.0642 H 1 UNL1111111111 0.1704 28 H 4.1028 2.1599 0.3199 H 1 UNL1111111111 0.1698 29 H 3.7464 -1.3592 1.6272 H 1 UNL1111111111 0.1744 30 H 2.9473 0.2196 1.5609 H 1 UNL1111111111 0.1545 31 H 3.0077 0.0200 -1.0468 H 1 UNL1111111111 0.1571 32 H 1.2922 -1.5420 0.9204 H 1 UNL1111111111 0.1152 33 H 0.6044 -3.2793 -0.6418 H 1 UNL1111111111 0.1276 34 H 1.0681 -2.3025 -2.0611 H 1 UNL1111111111 0.1687 35 H 2.8450 -3.8196 -0.2761 H 1 UNL1111111111 0.2444 36 H 3.9511 -1.8173 -2.0598 H 1 UNL1111111111 0.1493 37 H 4.5998 -2.3480 -0.4898 H 1 UNL1111111111 0.1557 38 H 0.9089 0.6822 -0.4327 H 1 UNL1111111111 0.2578 39 H -1.1599 -1.4644 -0.3987 H 1 UNL1111111111 0.1590 40 H -0.9090 -0.3161 0.9457 H 1 UNL1111111111 0.1133 41 H -1.3253 1.6195 -0.7590 H 1 UNL1111111111 0.1098 42 H -1.6905 0.3722 -1.9834 H 1 UNL1111111111 0.1587 43 H -3.1642 0.6698 0.5940 H 1 UNL1111111111 0.2563 44 H -3.7428 2.2605 -1.3415 H 1 UNL1111111111 0.1246 45 H -4.1025 0.7444 -2.2177 H 1 UNL1111111111 0.1635 46 H -5.8496 3.2288 -0.8480 H 1 UNL1111111111 0.1568 47 H -8.1059 3.1038 0.1590 H 1 UNL1111111111 0.1564 48 H -8.9721 0.9378 1.0261 H 1 UNL1111111111 0.1716 49 H -5.2819 -0.9889 -0.1711 H 1 UNL1111111111 0.1953 50 H 5.5687 3.8916 -0.8945 H 1 UNL1111111111 0.1657 51 H 6.2658 4.2051 0.7027 H 1 UNL1111111111 0.1691 52 H 7.3222 3.8353 -0.6684 H 1 UNL1111111111 0.1604 53 H 8.1570 -1.8185 0.9732 H 1 UNL1111111111 0.3153 54 H 9.2395 -0.5318 0.6750 H 1 UNL1111111111 0.3021 @BOND 1 1 2 ar 2 1 27 1 3 2 25 1 4 3 2 ar 5 3 28 1 6 4 3 ar 7 5 4 ar 8 5 6 ar 9 6 1 ar 10 7 8 1 11 7 4 1 12 7 29 1 13 7 30 1 14 8 12 1 15 8 31 1 16 9 13 1 17 9 8 1 18 9 32 1 19 10 11 1 20 10 9 1 21 10 33 1 22 10 34 1 23 11 12 1 24 11 35 1 25 12 36 1 26 12 37 1 27 13 38 1 28 14 13 1 29 14 39 1 30 14 40 1 31 15 14 1 32 15 41 1 33 15 42 1 34 16 15 1 35 16 43 1 36 17 16 1 37 17 44 1 38 17 45 1 39 18 19 ar 40 18 17 1 41 19 46 1 42 20 19 ar 43 20 47 1 44 21 20 ar 45 21 48 1 46 22 21 ar 47 22 23 ar 48 23 18 ar 49 23 49 1 50 24 22 1 51 25 50 1 52 25 51 1 53 25 52 1 54 26 6 1 55 26 53 1 56 26 54 1