@MOLECULE 6-{[{2-[(cyclohexylmethyl)carbamoyl]benzyl}(methyl)amino]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid 65 68 0 0 0 SMALL GASTEIGER @ATOM 1 C 3.0682 -3.8859 -1.6862 C.ar 1 UNL111111111 -0.1661 2 C 2.0730 -4.8308 -1.4370 C.ar 1 UNL111111111 -0.1183 3 C 3.0274 -2.6548 -1.0404 C.ar 1 UNL111111111 -0.1143 4 C 1.0424 -4.5427 -0.5480 C.ar 1 UNL111111111 -0.1902 5 C -4.5872 -1.1137 0.7433 C.ar 1 UNL111111111 -0.2059 6 C -5.4457 -0.1335 0.2446 C.ar 1 UNL111111111 -0.1498 7 C 1.9913 -2.3652 -0.1493 C.ar 1 UNL111111111 -0.1297 8 C -2.6744 0.3212 0.3673 C.ar 1 UNL111111111 -0.1689 9 C 0.9906 -3.3046 0.1021 C.ar 1 UNL111111111 0.0535 10 C -3.2113 -0.8940 0.8105 C.ar 1 UNL111111111 0.0550 11 C -4.9092 1.0711 -0.1946 C.ar 1 UNL111111111 0.0858 12 C -3.5242 1.3006 -0.1394 C.ar 1 UNL111111111 0.1558 13 C 2.0160 -1.0545 0.5582 C.2 1 UNL111111111 0.5974 14 C -1.2163 0.5468 0.3896 C.2 1 UNL111111111 0.7100 15 C 6.1303 3.4979 0.2240 C.3 1 UNL111111111 -0.2656 16 C 4.8700 4.2307 -0.2560 C.3 1 UNL111111111 -0.2617 17 C 6.1016 2.0295 -0.2207 C.3 1 UNL111111111 -0.2673 18 C 3.6058 3.5329 0.2637 C.3 1 UNL111111111 -0.2809 19 C 4.8391 1.3368 0.3054 C.3 1 UNL111111111 -0.2681 20 C -5.2250 3.3021 -0.7931 C.3 1 UNL111111111 -0.0994 21 C -3.8192 3.2444 -1.3799 C.3 1 UNL111111111 -0.1007 22 C 3.5817 2.0652 -0.1954 C.3 1 UNL111111111 -0.1140 23 C -1.7036 -2.8555 -0.8255 C.3 1 UNL111111111 -0.2857 24 C -0.1395 -3.0311 1.0605 C.3 1 UNL111111111 -0.1495 25 C -2.3022 -1.9619 1.3647 C.3 1 UNL111111111 -0.1306 26 C 2.3035 1.3878 0.3512 C.3 1 UNL111111111 -0.0962 27 N 2.1606 0.0526 -0.2416 N.am 1 UNL111111111 -0.5601 28 N -1.1934 -2.2136 0.4031 N.3 1 UNL111111111 -0.3903 29 O -0.7425 0.4558 1.6567 O.3 1 UNL111111111 -0.5584 30 O 2.0012 -0.9539 1.7756 O.2 1 UNL111111111 -0.5798 31 O -0.4997 0.8173 -0.5397 O.2 1 UNL111111111 -0.5260 32 O -5.7800 1.9893 -0.7124 O.3 1 UNL111111111 -0.3010 33 O -2.9652 2.4797 -0.5270 O.3 1 UNL111111111 -0.2721 34 H 3.8745 -4.1126 -2.3800 H 1 UNL111111111 0.1528 35 H 2.1039 -5.7969 -1.9380 H 1 UNL111111111 0.1480 36 H 3.8102 -1.9170 -1.2231 H 1 UNL111111111 0.1608 37 H 0.2709 -5.2860 -0.3572 H 1 UNL111111111 0.1530 38 H -5.0045 -2.0592 1.0849 H 1 UNL111111111 0.1615 39 H -6.5203 -0.3001 0.1965 H 1 UNL111111111 0.1702 40 H -0.5324 -3.9846 1.4779 H 1 UNL111111111 0.1252 41 H 0.2436 -2.4411 1.9355 H 1 UNL111111111 0.1872 42 H -1.8560 -1.5816 2.3205 H 1 UNL111111111 0.1779 43 H -2.8693 -2.8825 1.6192 H 1 UNL111111111 0.1246 44 H 1.9264 0.0207 -1.2233 H 1 UNL111111111 0.3221 45 H 0.2467 0.3352 1.6986 H 1 UNL111111111 0.3733 46 H 7.0336 3.9977 -0.1683 H 1 UNL111111111 0.1256 47 H 6.2025 3.5554 1.3261 H 1 UNL111111111 0.1370 48 H 4.8898 5.2815 0.0848 H 1 UNL111111111 0.1276 49 H 4.8539 4.2680 -1.3609 H 1 UNL111111111 0.1333 50 H 6.1372 1.9678 -1.3237 H 1 UNL111111111 0.1324 51 H 7.0026 1.5042 0.1440 H 1 UNL111111111 0.1285 52 H 3.5749 3.5870 1.3680 H 1 UNL111111111 0.1407 53 H 2.7063 4.0638 -0.0974 H 1 UNL111111111 0.1332 54 H 4.8195 0.2793 -0.0166 H 1 UNL111111111 0.1387 55 H 4.8511 1.3132 1.4112 H 1 UNL111111111 0.1433 56 H 3.5645 2.0339 -1.3097 H 1 UNL111111111 0.1361 57 H -5.2365 3.7440 0.2201 H 1 UNL111111111 0.1477 58 H -5.9454 3.8304 -1.4425 H 1 UNL111111111 0.1548 59 H -3.8025 2.7850 -2.3857 H 1 UNL111111111 0.1516 60 H -3.3150 4.2266 -1.4072 H 1 UNL111111111 0.1589 61 H 2.3572 1.3140 1.4622 H 1 UNL111111111 0.1634 62 H 1.4053 2.0020 0.1023 H 1 UNL111111111 0.1565 63 H -2.0933 -3.8725 -0.6827 H 1 UNL111111111 0.1170 64 H -2.5033 -2.2287 -1.2574 H 1 UNL111111111 0.1560 65 H -0.8915 -2.8891 -1.5727 H 1 UNL111111111 0.1544 @BOND 1 1 2 ar 2 1 3 ar 3 1 34 1 4 2 4 ar 5 2 35 1 6 3 7 ar 7 3 36 1 8 4 9 ar 9 4 37 1 10 5 6 ar 11 5 10 ar 12 5 38 1 13 6 11 ar 14 6 39 1 15 7 9 ar 16 7 13 1 17 8 10 ar 18 8 12 ar 19 8 14 1 20 9 24 1 21 10 25 1 22 11 12 ar 23 11 32 1 24 12 33 1 25 13 27 am 26 13 30 2 27 14 29 1 28 14 31 2 29 15 16 1 30 15 17 1 31 15 46 1 32 15 47 1 33 16 18 1 34 16 48 1 35 16 49 1 36 17 19 1 37 17 50 1 38 17 51 1 39 18 22 1 40 18 52 1 41 18 53 1 42 19 22 1 43 19 54 1 44 19 55 1 45 20 21 1 46 20 32 1 47 20 57 1 48 20 58 1 49 21 33 1 50 21 59 1 51 21 60 1 52 22 26 1 53 22 56 1 54 23 28 1 55 23 63 1 56 23 64 1 57 23 65 1 58 24 28 1 59 24 40 1 60 24 41 1 61 25 28 1 62 25 42 1 63 25 43 1 64 26 27 1 65 26 61 1 66 26 62 1 67 27 44 1 68 29 45 1