@MOLECULE n-{(3r,4r)-4-[(6-amino-4-methyl-2-pyridinyl)methyl]-3-pyrrolidinyl}-n'-[2-(3-fluorophenyl)ethyl]-1,2-ethanediamine 57 59 0 0 0 SMALL GASTEIGER @ATOM 1 C 0.4144 -1.8672 -0.3920 C.3 1 UNL1111 -0.1188 2 N -0.8884 -1.3634 0.0887 N.3 1 UNL1111 -0.5607 3 C 1.4933 -0.8422 0.0346 C.3 1 UNL1111 -0.1200 4 N 2.7948 -1.3145 -0.4862 N.3 1 UNL1111 -0.5517 5 C 3.8679 -0.3229 -0.2476 C.3 1 UNL1111 -0.0947 6 C 5.1812 -0.8727 -0.8431 C.3 1 UNL1111 -0.3086 7 N -3.5027 -3.4596 1.0004 N.3 1 UNL1111 -0.5226 8 C 6.2909 0.0956 -0.5838 C.ar 1 UNL1111 0.0618 9 N -5.2153 0.8116 -1.1535 N.ar 1 UNL1111 -0.5296 10 C 7.0551 -0.0203 0.5794 C.ar 1 UNL1111 -0.2591 11 C 8.0769 0.9034 0.7860 C.ar 1 UNL1111 0.2192 12 F 8.8092 0.7984 1.8852 F 1 UNL1111 -0.1758 13 C 8.3670 1.9312 -0.1095 C.ar 1 UNL1111 -0.2421 14 C 7.5874 2.0280 -1.2603 C.ar 1 UNL1111 -0.0880 15 C 6.5572 1.1200 -1.4968 C.ar 1 UNL1111 -0.2141 16 C -2.2560 -3.5021 0.1930 C.3 1 UNL1111 -0.1802 17 C -4.5199 0.8587 0.0004 C.ar 1 UNL1111 0.2837 18 C -2.0324 -2.1002 -0.4685 C.3 1 UNL1111 0.0285 19 C -4.9990 1.5098 1.1449 C.ar 1 UNL1111 -0.3967 20 C -3.3602 -1.3368 -0.1799 C.3 1 UNL1111 -0.1410 21 C -6.2537 2.1272 1.0979 C.ar 1 UNL1111 0.1956 22 C -3.9196 -2.0367 1.0791 C.3 1 UNL1111 -0.1302 23 C -7.0002 2.0809 -0.0746 C.ar 1 UNL1111 -0.4205 24 C -6.4449 1.4014 -1.1824 C.ar 1 UNL1111 0.4317 25 N -7.1425 1.2460 -2.3655 N.pl3 1 UNL1111 -0.6142 26 C -3.1839 0.1709 -0.0034 C.3 1 UNL1111 -0.2873 27 C -6.7762 2.8385 2.2984 C.3 1 UNL1111 -0.4687 28 H 0.6617 -2.8787 -0.0111 H 1 UNL1111 0.1098 29 H 0.3982 -1.9344 -1.5034 H 1 UNL1111 0.1582 30 H -0.9266 -1.3440 1.1072 H 1 UNL1111 0.2624 31 H 1.2569 0.1465 -0.4206 H 1 UNL1111 0.1596 32 H 1.4862 -0.7008 1.1346 H 1 UNL1111 0.1117 33 H 3.0407 -2.2171 -0.0826 H 1 UNL1111 0.2509 34 H 3.5893 0.6236 -0.7628 H 1 UNL1111 0.1467 35 H 4.0064 -0.0799 0.8276 H 1 UNL1111 0.1176 36 H 5.4114 -1.8692 -0.4166 H 1 UNL1111 0.1538 37 H 5.0434 -1.0540 -1.9307 H 1 UNL1111 0.1701 38 H -4.2310 -4.0255 0.5711 H 1 UNL1111 0.2484 39 H 6.8571 -0.8104 1.2998 H 1 UNL1111 0.1752 40 H 9.1738 2.6349 0.0799 H 1 UNL1111 0.1728 41 H 7.7868 2.8208 -1.9811 H 1 UNL1111 0.1528 42 H 5.9552 1.2081 -2.3993 H 1 UNL1111 0.1610 43 H -1.4260 -3.7518 0.8858 H 1 UNL1111 0.1464 44 H -2.2901 -4.3032 -0.5642 H 1 UNL1111 0.1263 45 H -1.8866 -2.1995 -1.5690 H 1 UNL1111 0.1410 46 H -4.4063 1.5344 2.0500 H 1 UNL1111 0.1719 47 H -4.0512 -1.5119 -1.0417 H 1 UNL1111 0.1604 48 H -5.0163 -1.9410 1.1630 H 1 UNL1111 0.1379 49 H -3.4849 -1.6069 2.0057 H 1 UNL1111 0.1465 50 H -7.9764 2.5386 -0.1405 H 1 UNL1111 0.1696 51 H -6.6702 0.8444 -3.1529 H 1 UNL1111 0.3124 52 H -7.9340 1.8185 -2.5536 H 1 UNL1111 0.2998 53 H -2.5537 0.5646 -0.8360 H 1 UNL1111 0.1875 54 H -2.6137 0.4027 0.9175 H 1 UNL1111 0.1602 55 H -6.2493 3.7947 2.4440 H 1 UNL1111 0.1680 56 H -7.8477 3.0680 2.2251 H 1 UNL1111 0.1590 57 H -6.6337 2.2478 3.2155 H 1 UNL1111 0.1664 @BOND 1 1 2 1 2 1 3 1 3 1 28 1 4 1 29 1 5 2 18 1 6 2 30 1 7 3 4 1 8 3 31 1 9 3 32 1 10 4 5 1 11 4 33 1 12 5 6 1 13 5 34 1 14 5 35 1 15 6 8 1 16 6 36 1 17 6 37 1 18 7 16 1 19 7 22 1 20 7 38 1 21 8 10 ar 22 8 15 ar 23 9 17 ar 24 9 24 ar 25 10 11 ar 26 10 39 1 27 11 12 1 28 11 13 ar 29 13 14 ar 30 13 40 1 31 14 15 ar 32 14 41 1 33 15 42 1 34 16 18 1 35 16 43 1 36 16 44 1 37 17 19 ar 38 17 26 1 39 18 20 1 40 18 45 1 41 19 21 ar 42 19 46 1 43 20 22 1 44 20 26 1 45 20 47 1 46 21 23 ar 47 21 27 1 48 22 48 1 49 22 49 1 50 23 24 ar 51 23 50 1 52 24 25 1 53 25 51 1 54 25 52 1 55 26 53 1 56 26 54 1 57 27 55 1 58 27 56 1 59 27 57 1