@MOLECULE n-{(2r)-1-[(1-{[(6-carbamimidoyl-3-pyridinyl)methyl]carbamoyl}cyclopentyl)amino]-3-cyclohexyl-1-oxo-2-propanyl}glycine 70 72 0 0 0 SMALL GASTEIGER @ATOM 1 C 0.6820 -4.1450 -2.0832 C.2 1 UNL1111111111 0.6381 2 C 1.1044 -3.2426 -0.9500 C.3 1 UNL1111111111 -0.1836 3 N -0.0654 -2.4327 -0.5585 N.3 1 UNL1111111111 -0.5021 4 C 0.2522 -1.4657 0.5011 C.3 1 UNL1111111111 -0.0117 5 C 1.3800 -0.5096 0.0666 C.2 1 UNL1111111111 0.5123 6 C -0.9768 -0.5729 0.7670 C.3 1 UNL1111111111 -0.3124 7 C -2.1367 -1.3654 1.3946 C.3 1 UNL1111111111 -0.0821 8 C -1.9669 -1.4504 2.9220 C.3 1 UNL1111111111 -0.2740 9 C -3.1409 -2.2175 3.5462 C.3 1 UNL1111111111 -0.2646 10 C -4.4718 -1.5361 3.2001 C.3 1 UNL1111111111 -0.2672 11 C -4.6429 -1.4470 1.6784 C.3 1 UNL1111111111 -0.2569 12 C -3.4714 -0.6833 1.0491 C.3 1 UNL1111111111 -0.2811 13 O 1.4121 -0.0252 -1.0450 O.2 1 UNL1111111111 -0.5308 14 N 2.3205 -0.1650 1.0213 N.am 1 UNL1111111111 -0.6369 15 C 3.4596 0.7003 0.6631 C.3 1 UNL1111111111 0.1745 16 C 2.9386 2.0612 0.1485 C.2 1 UNL1111111111 0.5477 17 O 3.4710 2.6564 -0.7610 O.2 1 UNL1111111111 -0.5051 18 N 1.8879 2.6221 0.8614 N.am 1 UNL1111111111 -0.5807 19 C 1.1473 3.7444 0.2680 C.3 1 UNL1111111111 -0.0657 20 C -0.1308 3.2411 -0.3419 C.ar 1 UNL1111111111 -0.1348 21 C -0.1016 2.3701 -1.4307 C.ar 1 UNL1111111111 -0.0648 22 C -1.2974 1.8492 -1.9214 C.ar 1 UNL1111111111 -0.2075 23 C -2.4950 2.2402 -1.3121 C.ar 1 UNL1111111111 0.0845 24 N -2.5314 3.0997 -0.2705 N.ar 1 UNL1111111111 -0.3779 25 C -1.3760 3.5900 0.2034 C.ar 1 UNL1111111111 0.0404 26 O -0.0719 -3.9231 -2.9895 O.2 1 UNL1111111111 -0.4841 27 O 1.3438 -5.3286 -1.9868 O.3 1 UNL1111111111 -0.5705 28 C -3.8380 1.7161 -1.7279 C.2 1 UNL1111111111 0.3725 29 N -4.9160 1.7078 -1.0235 N.2 1 UNL1111111111 -0.5822 30 N -3.8711 1.0874 -2.9895 N.pl3 1 UNL1111111111 -0.6172 31 C 4.3791 0.0398 -0.3861 C.3 1 UNL1111111111 -0.2940 32 C 4.3650 0.9160 1.8979 C.3 1 UNL1111111111 -0.3020 33 C 5.3936 -0.7859 0.4158 C.3 1 UNL1111111111 -0.2621 34 C 5.4331 -0.1893 1.8382 C.3 1 UNL1111111111 -0.2622 35 H 1.4359 -3.8490 -0.0715 H 1 UNL1111111111 0.1791 36 H 1.9857 -2.6428 -1.2877 H 1 UNL1111111111 0.1621 37 H -0.4936 -1.9717 -1.3701 H 1 UNL1111111111 0.2950 38 H 0.5272 -2.0364 1.4233 H 1 UNL1111111111 0.1564 39 H -0.6995 0.2754 1.4180 H 1 UNL1111111111 0.1402 40 H -1.3089 -0.1106 -0.1881 H 1 UNL1111111111 0.1655 41 H -2.1456 -2.4007 0.9696 H 1 UNL1111111111 0.1630 42 H -1.9134 -0.4353 3.3561 H 1 UNL1111111111 0.1330 43 H -1.0152 -1.9494 3.1736 H 1 UNL1111111111 0.1212 44 H -3.0170 -2.2767 4.6418 H 1 UNL1111111111 0.1224 45 H -3.1462 -3.2612 3.1809 H 1 UNL1111111111 0.1361 46 H -5.3139 -2.0931 3.6476 H 1 UNL1111111111 0.1266 47 H -4.5043 -0.5234 3.6425 H 1 UNL1111111111 0.1348 48 H -4.7081 -2.4617 1.2436 H 1 UNL1111111111 0.1366 49 H -5.5963 -0.9456 1.4274 H 1 UNL1111111111 0.1364 50 H -3.6046 -0.6391 -0.0492 H 1 UNL1111111111 0.1475 51 H -3.4698 0.3641 1.4010 H 1 UNL1111111111 0.1355 52 H 2.3994 -0.6725 1.8890 H 1 UNL1111111111 0.3168 53 H 1.3657 2.0456 1.5053 H 1 UNL1111111111 0.3076 54 H 1.7823 4.2529 -0.5041 H 1 UNL1111111111 0.1875 55 H 0.9623 4.5013 1.0653 H 1 UNL1111111111 0.1501 56 H 0.8554 2.0794 -1.8824 H 1 UNL1111111111 0.1969 57 H -1.2881 1.1346 -2.7450 H 1 UNL1111111111 0.1874 58 H -1.4666 4.2810 1.0500 H 1 UNL1111111111 0.1739 59 H 1.1249 -5.9676 -2.7078 H 1 UNL1111111111 0.3578 60 H -4.9115 2.0645 -0.0818 H 1 UNL1111111111 0.2920 61 H -4.7802 0.7472 -3.2715 H 1 UNL1111111111 0.2985 62 H -3.3751 1.5430 -3.7321 H 1 UNL1111111111 0.2839 63 H 4.8882 0.8204 -0.9895 H 1 UNL1111111111 0.1797 64 H 3.8142 -0.5621 -1.1157 H 1 UNL1111111111 0.1634 65 H 3.8033 0.9083 2.8441 H 1 UNL1111111111 0.1450 66 H 4.8398 1.9154 1.8423 H 1 UNL1111111111 0.1650 67 H 6.3885 -0.7575 -0.0580 H 1 UNL1111111111 0.1413 68 H 5.1008 -1.8484 0.4460 H 1 UNL1111111111 0.1339 69 H 5.2441 -0.9672 2.5949 H 1 UNL1111111111 0.1317 70 H 6.4317 0.2195 2.0667 H 1 UNL1111111111 0.1411 @BOND 1 1 26 2 2 1 2 1 3 1 27 1 4 2 3 1 5 2 35 1 6 2 36 1 7 3 4 1 8 3 37 1 9 4 5 1 10 4 6 1 11 4 38 1 12 5 14 am 13 5 13 2 14 6 7 1 15 6 39 1 16 6 40 1 17 7 12 1 18 7 8 1 19 7 41 1 20 8 9 1 21 8 42 1 22 8 43 1 23 9 10 1 24 9 44 1 25 9 45 1 26 10 11 1 27 10 46 1 28 10 47 1 29 11 12 1 30 11 48 1 31 11 49 1 32 12 50 1 33 12 51 1 34 14 15 1 35 14 52 1 36 15 31 1 37 15 16 1 38 15 32 1 39 16 17 2 40 16 18 am 41 18 19 1 42 18 53 1 43 19 20 1 44 19 54 1 45 19 55 1 46 20 21 ar 47 20 25 ar 48 21 22 ar 49 21 56 1 50 22 23 ar 51 22 57 1 52 23 24 ar 53 23 28 1 54 24 25 ar 55 25 58 1 56 27 59 1 57 28 30 1 58 28 29 2 59 29 60 1 60 30 61 1 61 30 62 1 62 31 33 1 63 31 63 1 64 31 64 1 65 32 34 1 66 32 65 1 67 32 66 1 68 33 34 1 69 33 67 1 70 33 68 1 71 34 69 1 72 34 70 1