@MOLECULE n-{(3r,4s)-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 0.5680 -1.1887 -0.6092 C.3 1 UNL1111 -0.1239 2 N -0.6812 -0.6999 0.0115 N.3 1 UNL1111 -0.5598 3 C 1.7349 -0.3063 -0.1083 C.3 1 UNL1111 -0.1211 4 N 2.9801 -0.7974 -0.7390 N.3 1 UNL1111 -0.5498 5 C 4.1609 -0.0322 -0.2810 C.3 1 UNL1111 -0.0953 6 C 5.3884 -0.5251 -1.0767 C.3 1 UNL1111 -0.3068 7 N -3.2953 -3.0758 0.6839 N.3 1 UNL1111 -0.5100 8 C 6.6116 0.1816 -0.5881 C.ar 1 UNL1111 0.0615 9 N -6.4376 -0.2773 -0.4126 N.ar 1 UNL1111 -0.5340 10 C 7.4115 -0.4097 0.3915 C.ar 1 UNL1111 -0.2586 11 C 8.5335 0.2895 0.8301 C.ar 1 UNL1111 0.2193 12 F 9.2979 -0.2658 1.7591 F 1 UNL1111 -0.1757 13 C 8.8885 1.5445 0.3395 C.ar 1 UNL1111 -0.2423 14 C 8.0734 2.1134 -0.6373 C.ar 1 UNL1111 -0.0880 15 C 6.9451 1.4393 -1.0993 C.ar 1 UNL1111 -0.2150 16 C -1.9771 -2.8983 0.0312 C.3 1 UNL1111 -0.1792 17 C -5.2796 0.4001 -0.5349 C.ar 1 UNL1111 0.2863 18 C -1.8692 -1.4200 -0.4752 C.3 1 UNL1111 0.0213 19 C -5.1473 1.7494 -0.1843 C.ar 1 UNL1111 -0.3952 20 C -3.1395 -0.7086 0.0781 C.3 1 UNL1111 -0.1436 21 C -6.2601 2.4266 0.3261 C.ar 1 UNL1111 0.1966 22 C -3.7424 -1.7191 1.0839 C.3 1 UNL1111 -0.1346 23 C -7.4684 1.7530 0.4713 C.ar 1 UNL1111 -0.4182 24 C -7.5144 0.3904 0.0968 C.ar 1 UNL1111 0.4330 25 N -8.6488 -0.3762 0.2696 N.pl3 1 UNL1111 -0.6121 26 C -4.1127 -0.3849 -1.0643 C.3 1 UNL1111 -0.3101 27 C -6.1380 3.8624 0.7043 C.3 1 UNL1111 -0.4690 28 H 0.7703 -2.2590 -0.3960 H 1 UNL1111 0.1111 29 H 0.4823 -1.0884 -1.7153 H 1 UNL1111 0.1586 30 H -0.6243 -0.7263 1.0291 H 1 UNL1111 0.2598 31 H 1.5656 0.7466 -0.4300 H 1 UNL1111 0.1589 32 H 1.7764 -0.3041 1.0006 H 1 UNL1111 0.1130 33 H 3.1087 -1.7932 -0.5631 H 1 UNL1111 0.2513 34 H 3.9867 1.0468 -0.4886 H 1 UNL1111 0.1455 35 H 4.3467 -0.1279 0.8103 H 1 UNL1111 0.1178 36 H 5.4924 -1.6244 -0.9849 H 1 UNL1111 0.1542 37 H 5.2195 -0.3467 -2.1603 H 1 UNL1111 0.1705 38 H -3.9666 -3.4950 0.0424 H 1 UNL1111 0.2509 39 H 7.1643 -1.3874 0.7984 H 1 UNL1111 0.1754 40 H 9.7710 2.0647 0.7032 H 1 UNL1111 0.1728 41 H 8.3225 3.0940 -1.0423 H 1 UNL1111 0.1526 42 H 6.3176 1.8939 -1.8635 H 1 UNL1111 0.1608 43 H -1.1993 -3.1130 0.7936 H 1 UNL1111 0.1454 44 H -1.8320 -3.6236 -0.7864 H 1 UNL1111 0.1296 45 H -1.8543 -1.3963 -1.5897 H 1 UNL1111 0.1416 46 H -4.1975 2.2554 -0.3067 H 1 UNL1111 0.1759 47 H -2.8591 0.2371 0.5950 H 1 UNL1111 0.1622 48 H -4.8478 -1.6667 1.1318 H 1 UNL1111 0.1581 49 H -3.3646 -1.5249 2.1091 H 1 UNL1111 0.1436 50 H -8.3445 2.2461 0.8665 H 1 UNL1111 0.1701 51 H -8.6580 -1.3136 -0.0843 H 1 UNL1111 0.3147 52 H -9.5260 0.0597 0.4407 H 1 UNL1111 0.3018 53 H -4.4613 -1.3207 -1.5518 H 1 UNL1111 0.1702 54 H -3.5958 0.1985 -1.8548 H 1 UNL1111 0.1637 55 H -5.9563 4.4882 -0.1833 H 1 UNL1111 0.1681 56 H -7.0371 4.2537 1.1987 H 1 UNL1111 0.1587 57 H -5.2937 4.0254 1.3916 H 1 UNL1111 0.1676 @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