@MOLECULE 1-{2-[1-(aminomethyl)cyclohexyl]ethyl}-3-(6-isoquinolinyl)urea 50 52 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.2589 -1.1770 -0.1200 O.2 1 UNL111111111 -0.5289 2 C -0.2945 0.0214 -0.3006 C.2 1 UNL111111111 0.7151 3 N -1.4854 0.7725 -0.3689 N.am 1 UNL111111111 -0.5896 4 C -2.7725 0.2230 -0.2090 C.ar 1 UNL111111111 0.2840 5 C -3.8138 1.1002 0.0573 C.ar 1 UNL111111111 -0.3250 6 C -5.1385 0.6138 0.1550 C.ar 1 UNL111111111 0.1094 7 C -6.2446 1.4690 0.4185 C.ar 1 UNL111111111 -0.2667 8 C -7.5079 0.9273 0.4888 C.ar 1 UNL111111111 0.0542 9 N -7.7565 -0.4110 0.3142 N.ar 1 UNL111111111 -0.3884 10 C -6.7388 -1.2199 0.0745 C.ar 1 UNL111111111 0.0838 11 C -5.3872 -0.7666 -0.0162 C.ar 1 UNL111111111 -0.1589 12 C -4.3041 -1.6462 -0.2723 C.ar 1 UNL111111111 -0.0749 13 C -3.0240 -1.1717 -0.3696 C.ar 1 UNL111111111 -0.2172 14 N 0.8645 0.7931 -0.4201 N.am 1 UNL111111111 -0.6129 15 C 2.1332 0.0336 -0.4692 C.3 1 UNL111111111 -0.0528 16 C 3.3066 1.0215 -0.5116 C.3 1 UNL111111111 -0.3392 17 C 4.6759 0.3719 -0.1821 C.3 1 UNL111111111 0.0773 18 C 5.7916 1.4074 -0.5140 C.3 1 UNL111111111 -0.1344 19 N 5.6852 2.6223 0.3247 N.3 1 UNL111111111 -0.6476 20 C 4.8958 -0.8733 -1.0692 C.3 1 UNL111111111 -0.2982 21 C 6.1698 -1.6425 -0.6959 C.3 1 UNL111111111 -0.2606 22 C 6.1407 -2.0420 0.7840 C.3 1 UNL111111111 -0.2649 23 C 5.9888 -0.8012 1.6700 C.3 1 UNL111111111 -0.2605 24 C 4.7225 -0.0161 1.3072 C.3 1 UNL111111111 -0.2774 25 H -1.4245 1.7862 -0.3475 H 1 UNL111111111 0.3149 26 H -3.6389 2.1628 0.1950 H 1 UNL111111111 0.1659 27 H -6.0769 2.5319 0.5595 H 1 UNL111111111 0.1669 28 H -8.4004 1.5300 0.6887 H 1 UNL111111111 0.1688 29 H -6.9746 -2.2835 -0.0580 H 1 UNL111111111 0.1699 30 H -4.5091 -2.7114 -0.3933 H 1 UNL111111111 0.1591 31 H -2.1940 -1.8559 -0.5683 H 1 UNL111111111 0.2038 32 H 0.8517 1.6667 -0.9207 H 1 UNL111111111 0.3022 33 H 2.1819 -0.6144 0.4399 H 1 UNL111111111 0.1678 34 H 2.1454 -0.6497 -1.3479 H 1 UNL111111111 0.1384 35 H 3.3568 1.4978 -1.5077 H 1 UNL111111111 0.1373 36 H 3.1186 1.8344 0.2211 H 1 UNL111111111 0.1591 37 H 6.7841 0.9482 -0.3007 H 1 UNL111111111 0.1512 38 H 5.7705 1.6369 -1.6001 H 1 UNL111111111 0.1056 39 H 6.4292 3.2709 0.1286 H 1 UNL111111111 0.2485 40 H 4.8041 3.0901 0.2021 H 1 UNL111111111 0.2428 41 H 4.0342 -1.5615 -0.9668 H 1 UNL111111111 0.1465 42 H 4.9274 -0.5810 -2.1336 H 1 UNL111111111 0.1315 43 H 6.2599 -2.5438 -1.3306 H 1 UNL111111111 0.1314 44 H 7.0683 -1.0358 -0.9085 H 1 UNL111111111 0.1314 45 H 5.3051 -2.7427 0.9691 H 1 UNL111111111 0.1385 46 H 7.0630 -2.5894 1.0494 H 1 UNL111111111 0.1275 47 H 5.9511 -1.0957 2.7350 H 1 UNL111111111 0.1306 48 H 6.8770 -0.1484 1.5726 H 1 UNL111111111 0.1401 49 H 4.6733 0.9038 1.9260 H 1 UNL111111111 0.1583 50 H 3.8304 -0.6140 1.5708 H 1 UNL111111111 0.1366 @BOND 1 1 2 2 2 2 14 am 3 3 2 am 4 3 25 1 5 4 3 1 6 5 4 ar 7 5 26 1 8 6 5 ar 9 7 6 ar 10 7 27 1 11 8 7 ar 12 8 28 1 13 9 8 ar 14 9 10 ar 15 10 11 ar 16 10 29 1 17 11 6 ar 18 11 12 ar 19 12 13 ar 20 12 30 1 21 13 4 ar 22 13 31 1 23 14 15 1 24 14 32 1 25 15 16 1 26 15 33 1 27 15 34 1 28 16 17 1 29 16 35 1 30 16 36 1 31 17 20 1 32 17 18 1 33 18 37 1 34 18 38 1 35 19 18 1 36 19 39 1 37 19 40 1 38 20 21 1 39 20 41 1 40 20 42 1 41 21 43 1 42 21 44 1 43 22 21 1 44 22 45 1 45 22 46 1 46 23 22 1 47 23 47 1 48 23 48 1 49 24 17 1 50 24 23 1 51 24 49 1 52 24 50 1