@MOLECULE 3-{4-[(3-phenoxybenzyl)amino]phenyl}propanoic acid 47 49 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.3490 -0.0627 -0.5832 O.3 1 UNL111111111 -0.3204 2 O 7.8161 -2.2884 -0.6940 O.3 1 UNL111111111 -0.5735 3 O 8.2697 -0.2764 0.1470 O.2 1 UNL111111111 -0.5106 4 N -0.0414 1.4054 0.4270 N.pl3 1 UNL111111111 -0.5322 5 C 4.0702 0.6273 0.2528 C.ar 1 UNL111111111 -0.0954 6 C 5.5572 0.4637 0.2470 C.3 1 UNL111111111 -0.2536 7 C -0.7989 1.8070 -0.7713 C.3 1 UNL111111111 -0.0912 8 C 1.3033 1.0651 0.3024 C.ar 1 UNL111111111 0.2494 9 C -2.2607 1.9086 -0.4258 C.ar 1 UNL111111111 0.0115 10 C 3.3286 0.3189 1.3972 C.ar 1 UNL111111111 -0.0820 11 C 3.4147 1.1193 -0.8743 C.ar 1 UNL111111111 -0.0841 12 C 1.9578 0.5228 1.4303 C.ar 1 UNL111111111 -0.2888 13 C 2.0424 1.3379 -0.8633 C.ar 1 UNL111111111 -0.2937 14 C 5.9564 -0.9303 -0.2570 C.3 1 UNL111111111 -0.3380 15 C -3.1028 0.8250 -0.6638 C.ar 1 UNL111111111 -0.2582 16 C -2.7686 3.0828 0.1344 C.ar 1 UNL111111111 -0.1858 17 C -4.4511 0.9524 -0.3334 C.ar 1 UNL111111111 0.2208 18 C -4.1249 3.1867 0.4422 C.ar 1 UNL111111111 -0.1007 19 C -4.9873 2.1201 0.2071 C.ar 1 UNL111111111 -0.2153 20 C 7.4425 -1.0671 -0.2234 C.2 1 UNL111111111 0.6460 21 C -4.8968 -1.3083 -0.1951 C.ar 1 UNL111111111 0.2168 22 C -4.3029 -1.5089 1.0512 C.ar 1 UNL111111111 -0.2476 23 C -5.1318 -2.3450 -1.0956 C.ar 1 UNL111111111 -0.2180 24 C -3.9227 -2.8015 1.3977 C.ar 1 UNL111111111 -0.0943 25 C -4.7447 -3.6303 -0.7235 C.ar 1 UNL111111111 -0.0999 26 C -4.1402 -3.8577 0.5112 C.ar 1 UNL111111111 -0.1908 27 H 6.0374 1.2442 -0.3808 H 1 UNL111111111 0.1597 28 H 5.9786 0.6334 1.2624 H 1 UNL111111111 0.1615 29 H -0.6398 1.0923 -1.6147 H 1 UNL111111111 0.1434 30 H -0.4103 2.7996 -1.1117 H 1 UNL111111111 0.1585 31 H -0.5844 0.9275 1.1335 H 1 UNL111111111 0.3031 32 H 3.8332 -0.0763 2.2789 H 1 UNL111111111 0.1491 33 H 3.9819 1.3369 -1.7800 H 1 UNL111111111 0.1472 34 H 1.3915 0.2903 2.3268 H 1 UNL111111111 0.1564 35 H 1.5581 1.7261 -1.7522 H 1 UNL111111111 0.1566 36 H 5.5726 -1.1046 -1.2858 H 1 UNL111111111 0.1843 37 H 5.4822 -1.7247 0.3588 H 1 UNL111111111 0.1848 38 H -2.7267 -0.1003 -1.0962 H 1 UNL111111111 0.1756 39 H -2.0984 3.9169 0.3355 H 1 UNL111111111 0.1642 40 H -4.5135 4.1069 0.8766 H 1 UNL111111111 0.1543 41 H -6.0477 2.1763 0.4411 H 1 UNL111111111 0.1758 42 H -4.1489 -0.6764 1.7306 H 1 UNL111111111 0.1690 43 H -5.6025 -2.1439 -2.0542 H 1 UNL111111111 0.1736 44 H -3.4565 -2.9858 2.3646 H 1 UNL111111111 0.1523 45 H -4.9140 -4.4613 -1.4070 H 1 UNL111111111 0.1518 46 H -3.8322 -4.8640 0.7863 H 1 UNL111111111 0.1534 47 H 8.7921 -2.4364 -0.6905 H 1 UNL111111111 0.3551 @BOND 1 1 17 1 2 1 21 1 3 2 20 1 4 2 47 1 5 3 20 2 6 4 7 1 7 4 8 1 8 4 31 1 9 5 6 1 10 5 10 ar 11 5 11 ar 12 6 14 1 13 6 27 1 14 6 28 1 15 7 9 1 16 7 29 1 17 7 30 1 18 8 12 ar 19 8 13 ar 20 9 15 ar 21 9 16 ar 22 10 12 ar 23 10 32 1 24 11 13 ar 25 11 33 1 26 12 34 1 27 13 35 1 28 14 20 1 29 14 36 1 30 14 37 1 31 15 17 ar 32 15 38 1 33 16 18 ar 34 16 39 1 35 17 19 ar 36 18 19 ar 37 18 40 1 38 19 41 1 39 21 22 ar 40 21 23 ar 41 22 24 ar 42 22 42 1 43 23 25 ar 44 23 43 1 45 24 26 ar 46 24 44 1 47 25 26 ar 48 25 45 1 49 26 46 1