@MOLECULE n-{(2s)-5-[(diaminomethylene)amino]-1-[(9-ethyl-9h-carbazol-3-yl)amino]-1-oxo-2-pentanyl}benzamide 65 68 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.5282 -1.0815 -0.1721 O.2 1 UNL1111111111 -0.5113 2 O 4.4518 -1.3279 2.3102 O.2 1 UNL1111111111 -0.5423 3 N -5.7691 -0.2095 0.6852 N.ar 1 UNL1111111111 -0.3485 4 N -0.2815 0.0971 1.6146 N.am 1 UNL1111111111 -0.5551 5 N 3.0757 -0.9740 0.5608 N.am 1 UNL1111111111 -0.5864 6 N 2.6462 4.0392 -1.2544 N.pl3 1 UNL1111111111 -0.5587 7 N 3.1884 6.2741 -0.4418 N.pl3 1 UNL1111111111 -0.6801 8 N 2.6336 5.8751 -2.7093 N.pl3 1 UNL1111111111 -0.6199 9 C -4.4281 0.0121 1.0297 C.ar 1 UNL1111111111 0.1172 10 C -3.5862 -0.6706 0.0918 C.ar 1 UNL1111111111 -0.0511 11 C -5.8040 -0.9460 -0.5028 C.ar 1 UNL1111111111 0.1769 12 C -4.4612 -1.2820 -0.8801 C.ar 1 UNL1111111111 -0.1131 13 C -6.9145 0.4108 1.3325 C.3 1 UNL1111111111 -0.0398 14 C -2.2061 -0.6549 0.2427 C.ar 1 UNL1111111111 -0.1554 15 C 2.1512 -0.1960 1.3782 C.3 1 UNL1111111111 0.0107 16 C -1.6716 0.0416 1.3294 C.ar 1 UNL1111111111 0.1691 17 C -3.8870 0.7265 2.0972 C.ar 1 UNL1111111111 -0.1872 18 C 2.5048 1.3040 1.3409 C.3 1 UNL1111111111 -0.3033 19 C -6.8986 -1.3710 -1.2598 C.ar 1 UNL1111111111 -0.2530 20 C -4.2362 -2.0661 -2.0044 C.ar 1 UNL1111111111 -0.0672 21 C -2.5089 0.7356 2.2345 C.ar 1 UNL1111111111 -0.2011 22 C 2.3244 1.9488 -0.0366 C.3 1 UNL1111111111 -0.2628 23 C 0.7281 -0.4495 0.8401 C.2 1 UNL1111111111 0.5586 24 C -7.2281 1.7871 0.7364 C.3 1 UNL1111111111 -0.4713 25 C -6.6387 -2.1501 -2.3795 C.ar 1 UNL1111111111 -0.0861 26 C -5.3290 -2.4963 -2.7480 C.ar 1 UNL1111111111 -0.2157 27 C 2.6841 3.4446 0.0740 C.3 1 UNL1111111111 -0.0836 28 C 4.2048 -1.5204 1.1340 C.2 1 UNL1111111111 0.5879 29 C 5.0896 -2.3040 0.2315 C.ar 1 UNL1111111111 -0.1329 30 C 6.4514 -2.3402 0.5340 C.ar 1 UNL1111111111 -0.0870 31 C 4.5917 -2.9903 -0.8765 C.ar 1 UNL1111111111 -0.1168 32 C 2.8066 5.3159 -1.4194 C.cat 1 UNL1111111111 0.5054 33 C 7.3228 -3.0424 -0.2954 C.ar 1 UNL1111111111 -0.1662 34 C 5.4685 -3.6790 -1.7103 C.ar 1 UNL1111111111 -0.1607 35 C 6.8328 -3.7005 -1.4220 C.ar 1 UNL1111111111 -0.1158 36 H -7.7946 -0.2682 1.2293 H 1 UNL1111111111 0.1477 37 H -6.7050 0.4979 2.4251 H 1 UNL1111111111 0.1475 38 H 2.2167 -0.5588 2.4484 H 1 UNL1111111111 0.1830 39 H -1.5719 -1.1810 -0.4746 H 1 UNL1111111111 0.2040 40 H -4.5224 1.2569 2.7990 H 1 UNL1111111111 0.1581 41 H 3.5649 1.4113 1.6643 H 1 UNL1111111111 0.1686 42 H 1.9084 1.8464 2.0965 H 1 UNL1111111111 0.1342 43 H -7.9107 -1.1047 -0.9820 H 1 UNL1111111111 0.1568 44 H -3.2176 -2.3285 -2.2874 H 1 UNL1111111111 0.1603 45 H -2.0744 1.2857 3.0674 H 1 UNL1111111111 0.1520 46 H 1.2902 1.8338 -0.4138 H 1 UNL1111111111 0.1599 47 H 2.9688 1.4648 -0.7958 H 1 UNL1111111111 0.1635 48 H -0.0272 0.6180 2.4478 H 1 UNL1111111111 0.3092 49 H -8.0790 2.2515 1.2389 H 1 UNL1111111111 0.1522 50 H -7.4682 1.7132 -0.3330 H 1 UNL1111111111 0.1607 51 H -6.3736 2.4661 0.8230 H 1 UNL1111111111 0.1606 52 H -7.4695 -2.5016 -2.9890 H 1 UNL1111111111 0.1453 53 H -5.1720 -3.1106 -3.6313 H 1 UNL1111111111 0.1520 54 H 2.8308 -1.0925 -0.4138 H 1 UNL1111111111 0.3354 55 H 1.9721 3.9422 0.7704 H 1 UNL1111111111 0.1149 56 H 3.7048 3.5423 0.5135 H 1 UNL1111111111 0.1307 57 H 6.8259 -1.8230 1.4213 H 1 UNL1111111111 0.1715 58 H 3.5219 -3.0063 -1.0889 H 1 UNL1111111111 0.1604 59 H 8.3849 -3.0795 -0.0610 H 1 UNL1111111111 0.1539 60 H 5.0878 -4.2019 -2.5858 H 1 UNL1111111111 0.1546 61 H 7.5163 -4.2374 -2.0776 H 1 UNL1111111111 0.1479 62 H 3.1140 5.9774 0.5143 H 1 UNL1111111111 0.2855 63 H 2.8648 7.2155 -0.5741 H 1 UNL1111111111 0.2910 64 H 2.5372 5.1860 -3.4446 H 1 UNL1111111111 0.3012 65 H 3.2844 6.6057 -2.9566 H 1 UNL1111111111 0.2841 @BOND 1 1 23 2 2 2 28 2 3 3 9 ar 4 3 11 ar 5 3 13 1 6 4 16 1 7 4 23 am 8 4 48 1 9 5 15 1 10 5 28 am 11 5 54 1 12 6 27 1 13 6 32 2 14 7 32 1 15 7 62 1 16 7 63 1 17 8 32 1 18 8 64 1 19 8 65 1 20 9 10 ar 21 9 17 ar 22 10 12 ar 23 10 14 ar 24 11 12 ar 25 11 19 ar 26 12 20 ar 27 13 24 1 28 13 36 1 29 13 37 1 30 14 16 ar 31 14 39 1 32 15 18 1 33 15 23 1 34 15 38 1 35 16 21 ar 36 17 21 ar 37 17 40 1 38 18 22 1 39 18 41 1 40 18 42 1 41 19 25 ar 42 19 43 1 43 20 26 ar 44 20 44 1 45 21 45 1 46 22 27 1 47 22 46 1 48 22 47 1 49 24 49 1 50 24 50 1 51 24 51 1 52 25 26 ar 53 25 52 1 54 26 53 1 55 27 55 1 56 27 56 1 57 28 29 1 58 29 30 ar 59 29 31 ar 60 30 33 ar 61 30 57 1 62 31 34 ar 63 31 58 1 64 33 35 ar 65 33 59 1 66 34 35 ar 67 34 60 1 68 35 61 1