@MOLECULE methyl n-[2-(4-chlorophenoxy)-2-methylpropanoyl]phenylalaninate 48 49 0 0 0 SMALL GASTEIGER @ATOM 1 CL -5.8533 -1.6602 0.1417 Cl 1 UNL1111111111 -0.0887 2 O -1.3388 1.8037 -1.0783 O.3 1 UNL1111111111 -0.3846 3 O -0.3624 1.0878 2.1041 O.2 1 UNL1111111111 -0.5217 4 O 1.8868 -2.9965 0.5829 O.3 1 UNL1111111111 -0.4027 5 O 1.2058 -1.8310 -1.2278 O.2 1 UNL1111111111 -0.4899 6 N 0.7333 0.3811 0.2614 N.am 1 UNL1111111111 -0.5959 7 C -0.6976 2.3782 0.0643 C.3 1 UNL1111111111 0.2425 8 C 1.3148 -0.7568 0.9637 C.3 1 UNL1111111111 0.0339 9 C 2.6758 -0.4178 1.6042 C.3 1 UNL1111111111 -0.3119 10 C -0.1182 1.2342 0.9255 C.2 1 UNL1111111111 0.5256 11 C -1.6504 3.2217 0.8941 C.3 1 UNL1111111111 -0.4903 12 C 0.4214 3.2173 -0.5473 C.3 1 UNL1111111111 -0.4694 13 C 3.7061 0.0084 0.6068 C.ar 1 UNL1111111111 0.0081 14 C 1.4563 -1.8837 -0.0528 C.2 1 UNL1111111111 0.5618 15 C -2.4048 0.9841 -0.7826 C.ar 1 UNL1111111111 0.2053 16 C 4.5654 -0.9353 0.0408 C.ar 1 UNL1111111111 -0.1767 17 C 3.8440 1.3557 0.2695 C.ar 1 UNL1111111111 -0.1673 18 C 5.5628 -0.5317 -0.8427 C.ar 1 UNL1111111111 -0.1353 19 C 4.8452 1.7536 -0.6143 C.ar 1 UNL1111111111 -0.1402 20 C -3.6845 1.5406 -0.7183 C.ar 1 UNL1111111111 -0.1918 21 C -2.1844 -0.3882 -0.6442 C.ar 1 UNL1111111111 -0.1913 22 C 5.7101 0.8149 -1.1725 C.ar 1 UNL1111111111 -0.1549 23 C -4.7665 0.7049 -0.4489 C.ar 1 UNL1111111111 -0.1458 24 C -3.2647 -1.2151 -0.3492 C.ar 1 UNL1111111111 -0.1369 25 C 2.0002 -4.1697 -0.2155 C.3 1 UNL1111111111 -0.1680 26 C -4.5296 -0.6486 -0.2485 C.ar 1 UNL1111111111 0.0017 27 H 0.6032 -1.0933 1.7807 H 1 UNL1111111111 0.1993 28 H 2.5171 0.3797 2.3659 H 1 UNL1111111111 0.1788 29 H 3.0336 -1.2960 2.1849 H 1 UNL1111111111 0.1693 30 H 0.9442 0.4789 -0.7266 H 1 UNL1111111111 0.3418 31 H -2.3701 2.6016 1.4496 H 1 UNL1111111111 0.1762 32 H -2.2154 3.9166 0.2653 H 1 UNL1111111111 0.1609 33 H -1.1089 3.8072 1.6490 H 1 UNL1111111111 0.1687 34 H 1.0247 2.6467 -1.2668 H 1 UNL1111111111 0.1664 35 H 0.0066 4.0697 -1.1032 H 1 UNL1111111111 0.1696 36 H 1.0914 3.6060 0.2288 H 1 UNL1111111111 0.1620 37 H 4.4601 -1.9892 0.2936 H 1 UNL1111111111 0.1553 38 H 3.1783 2.0964 0.7062 H 1 UNL1111111111 0.1541 39 H 6.2353 -1.2708 -1.2725 H 1 UNL1111111111 0.1488 40 H 4.9588 2.8068 -0.8630 H 1 UNL1111111111 0.1475 41 H -3.8262 2.6083 -0.8795 H 1 UNL1111111111 0.1718 42 H -1.1874 -0.8084 -0.7739 H 1 UNL1111111111 0.1855 43 H 6.4919 1.1292 -1.8605 H 1 UNL1111111111 0.1506 44 H -5.7728 1.1201 -0.3865 H 1 UNL1111111111 0.1717 45 H -3.1050 -2.2837 -0.2033 H 1 UNL1111111111 0.1734 46 H 2.7390 -4.0146 -1.0078 H 1 UNL1111111111 0.1416 47 H 2.3358 -4.9229 0.5073 H 1 UNL1111111111 0.1473 48 H 1.0260 -4.4333 -0.6411 H 1 UNL1111111111 0.1436 @BOND 1 1 26 1 2 2 7 1 3 2 15 1 4 3 10 2 5 4 14 1 6 4 25 1 7 5 14 2 8 6 8 1 9 6 10 am 10 6 30 1 11 7 10 1 12 7 11 1 13 7 12 1 14 8 9 1 15 8 14 1 16 8 27 1 17 9 13 1 18 9 28 1 19 9 29 1 20 11 31 1 21 11 32 1 22 11 33 1 23 12 34 1 24 12 35 1 25 12 36 1 26 13 16 ar 27 13 17 ar 28 15 20 ar 29 15 21 ar 30 16 18 ar 31 16 37 1 32 17 19 ar 33 17 38 1 34 18 22 ar 35 18 39 1 36 19 22 ar 37 19 40 1 38 20 23 ar 39 20 41 1 40 21 24 ar 41 21 42 1 42 22 43 1 43 23 26 ar 44 23 44 1 45 24 26 ar 46 24 45 1 47 25 46 1 48 25 47 1 49 25 48 1