@MOLECULE n-[(1r,2r)-2-(carbamimidamidomethyl)-2,3-dihydro-1h-inden-1-yl]-n'-(4-chloro-3-fluorophenyl)ethanediamide 47 49 0 0 0 SMALL GASTEIGER @ATOM 1 CL 7.7695 0.0192 -0.0659 Cl 1 UNL11 -0.0333 2 F 5.8930 1.2327 1.7695 F 1 UNL11 -0.1394 3 O -0.6376 0.3593 -1.6037 O.2 1 UNL11 -0.5364 4 O 1.1862 1.1047 1.2541 O.2 1 UNL11 -0.4743 5 N -1.4169 0.3296 0.5402 N.am 1 UNL11 -0.5270 6 N -4.8318 1.9987 0.3244 N.pl3 1 UNL11 -0.5835 7 N 1.9286 0.2394 -0.7508 N.am 1 UNL11 -0.5246 8 N -5.1293 3.8675 -1.0316 N.pl3 1 UNL11 -0.6226 9 N -6.9343 2.3402 -0.8578 N.pl3 1 UNL11 -0.6719 10 C -3.7761 0.0815 1.3254 C.3 1 UNL11 -0.1184 11 C -2.7679 -0.0988 0.1422 C.3 1 UNL11 0.0886 12 C -4.0041 -1.3358 1.9167 C.3 1 UNL11 -0.3071 13 C -2.7725 -1.5869 -0.1236 C.ar 1 UNL11 -0.0885 14 C -3.4618 -2.2764 0.8858 C.ar 1 UNL11 0.0120 15 C -5.1116 0.6571 0.7999 C.3 1 UNL11 -0.0899 16 C -2.1963 -2.2597 -1.1853 C.ar 1 UNL11 -0.1224 17 C -3.5740 -3.6554 0.8452 C.ar 1 UNL11 -0.1872 18 C -2.3055 -3.6540 -1.2263 C.ar 1 UNL11 -0.1705 19 C -2.9849 -4.3412 -0.2238 C.ar 1 UNL11 -0.1288 20 C -0.4540 0.4633 -0.4056 C.2 1 UNL11 0.4959 21 C -5.6148 2.6555 -0.4715 C.cat 1 UNL11 0.5212 22 C 0.9718 0.6730 0.1482 C.2 1 UNL11 0.5007 23 C 3.3164 0.2055 -0.5230 C.ar 1 UNL11 0.2560 24 C 3.9161 0.7734 0.6086 C.ar 1 UNL11 -0.2774 25 C 4.1031 -0.4342 -1.5051 C.ar 1 UNL11 -0.2667 26 C 5.3009 0.6965 0.7176 C.ar 1 UNL11 0.2183 27 C 5.4831 -0.4993 -1.3664 C.ar 1 UNL11 -0.0752 28 C 6.0842 0.0742 -0.2520 C.ar 1 UNL11 -0.1236 29 H -3.3687 0.7795 2.0897 H 1 UNL11 0.1634 30 H -3.0813 0.4918 -0.7598 H 1 UNL11 0.1850 31 H -5.0669 -1.5306 2.1401 H 1 UNL11 0.1553 32 H -3.4706 -1.4544 2.8789 H 1 UNL11 0.1607 33 H -5.5255 -0.0134 0.0149 H 1 UNL11 0.1243 34 H -5.8566 0.6889 1.6290 H 1 UNL11 0.1414 35 H -1.2165 0.4454 1.5257 H 1 UNL11 0.3335 36 H -1.6677 -1.7180 -1.9717 H 1 UNL11 0.1773 37 H -4.1043 -4.1984 1.6213 H 1 UNL11 0.1538 38 H -1.8531 -4.2025 -2.0499 H 1 UNL11 0.1516 39 H -3.0618 -5.4263 -0.2690 H 1 UNL11 0.1484 40 H 1.6020 -0.0641 -1.6771 H 1 UNL11 0.3432 41 H -4.1712 4.0730 -0.7671 H 1 UNL11 0.3012 42 H -5.7287 4.6680 -0.9177 H 1 UNL11 0.2830 43 H -7.2181 1.3822 -0.7672 H 1 UNL11 0.2919 44 H -7.2932 2.7794 -1.6873 H 1 UNL11 0.2965 45 H 3.3221 1.2664 1.3854 H 1 UNL11 0.2218 46 H 3.6305 -0.8830 -2.3768 H 1 UNL11 0.1704 47 H 6.0879 -0.9963 -2.1285 H 1 UNL11 0.1729 @BOND 1 1 28 1 2 2 26 1 3 3 20 2 4 4 22 2 5 5 11 1 6 5 20 am 7 5 35 1 8 6 15 1 9 6 21 2 10 7 22 am 11 7 23 1 12 7 40 1 13 8 21 1 14 8 41 1 15 8 42 1 16 9 21 1 17 9 43 1 18 9 44 1 19 10 11 1 20 10 12 1 21 10 15 1 22 10 29 1 23 11 13 1 24 11 30 1 25 12 14 1 26 12 31 1 27 12 32 1 28 13 14 ar 29 13 16 ar 30 14 17 ar 31 15 33 1 32 15 34 1 33 16 18 ar 34 16 36 1 35 17 19 ar 36 17 37 1 37 18 19 ar 38 18 38 1 39 19 39 1 40 20 22 1 41 23 24 ar 42 23 25 ar 43 24 26 ar 44 24 45 1 45 25 27 ar 46 25 46 1 47 26 28 ar 48 27 28 ar 49 27 47 1