@MOLECULE n-[(3,5-dichlorophenyl)acetyl]-l-threonyl-n-(2-iminoethyl)glycinamide 46 46 0 0 0 SMALL GASTEIGER @ATOM 1 C 0.6825 0.7390 0.9856 C.2 1 UNL111111111 0.6049 2 C 1.8693 0.6435 1.9220 C.3 1 UNL111111111 -0.3754 3 C 3.1060 0.4576 1.1019 C.ar 1 UNL111111111 0.0548 4 C 3.4708 1.4489 0.1846 C.ar 1 UNL111111111 -0.2008 5 C 4.6064 1.2577 -0.5891 C.ar 1 UNL111111111 0.0475 6 C 5.3993 0.1190 -0.4913 C.ar 1 UNL111111111 -0.2043 7 C 5.0046 -0.8407 0.4320 C.ar 1 UNL111111111 0.0509 8 C 3.8776 -0.6984 1.2334 C.ar 1 UNL111111111 -0.2108 9 O 0.1905 1.8007 0.6457 O.2 1 UNL111111111 -0.5722 10 CL 5.9391 -2.2597 0.5843 Cl 1 UNL111111111 -0.0583 11 CL 5.0453 2.4637 -1.7110 Cl 1 UNL111111111 -0.0534 12 N 0.1889 -0.4486 0.5032 N.am 1 UNL111111111 -0.5735 13 C -0.8600 -0.4436 -0.5105 C.3 1 UNL111111111 -0.0656 14 C -2.2164 -0.2919 0.2064 C.2 1 UNL111111111 0.5589 15 O -2.9580 -1.2487 0.3872 O.2 1 UNL111111111 -0.6097 16 C -0.8528 -1.7999 -1.2843 C.3 1 UNL111111111 0.1752 17 O -0.8949 -2.8432 -0.3367 O.3 1 UNL111111111 -0.5712 18 C 0.4310 -1.9986 -2.0771 C.3 1 UNL111111111 -0.4691 19 N -2.5364 0.9691 0.6174 N.am 1 UNL111111111 -0.5421 20 C -3.7466 1.2250 1.3897 C.3 1 UNL111111111 -0.1573 21 C -4.9864 1.2968 0.4795 C.2 1 UNL111111111 0.5608 22 O -5.5778 2.3374 0.2866 O.2 1 UNL111111111 -0.5275 23 C -7.7499 -0.5543 -0.1884 C.2 1 UNL111111111 0.0799 24 N -8.6356 -1.1640 -0.8809 N.2 1 UNL111111111 -0.5158 25 C -6.5597 0.0310 -0.9281 C.3 1 UNL111111111 -0.0937 26 N -5.4029 0.0967 -0.0396 N.am 1 UNL111111111 -0.5929 27 H 1.9363 1.5886 2.5160 H 1 UNL111111111 0.2037 28 H 1.7330 -0.1569 2.6775 H 1 UNL111111111 0.1801 29 H 2.8578 2.3503 0.0817 H 1 UNL111111111 0.1978 30 H 6.2888 -0.0126 -1.1104 H 1 UNL111111111 0.1934 31 H 3.6016 -1.4731 1.9495 H 1 UNL111111111 0.1812 32 H 0.5398 -1.3610 0.7730 H 1 UNL111111111 0.3421 33 H -0.7066 0.4058 -1.2313 H 1 UNL111111111 0.1841 34 H -1.7557 -1.8617 -1.9351 H 1 UNL111111111 0.1348 35 H -1.7653 -2.8093 0.1367 H 1 UNL111111111 0.3531 36 H 1.3156 -2.0183 -1.4282 H 1 UNL111111111 0.1603 37 H 0.4107 -2.9669 -2.5987 H 1 UNL111111111 0.1705 38 H 0.5774 -1.2121 -2.8244 H 1 UNL111111111 0.1560 39 H -1.8668 1.7347 0.5164 H 1 UNL111111111 0.3536 40 H -3.8971 0.4379 2.1681 H 1 UNL111111111 0.1736 41 H -3.6496 2.2010 1.9248 H 1 UNL111111111 0.1795 42 H -7.7492 -0.3862 0.8961 H 1 UNL111111111 0.1348 43 H -9.4553 -1.5507 -0.4431 H 1 UNL111111111 0.2600 44 H -6.3138 -0.5738 -1.8336 H 1 UNL111111111 0.1679 45 H -6.8334 1.0541 -1.2987 H 1 UNL111111111 0.1875 46 H -4.8412 -0.7431 0.0774 H 1 UNL111111111 0.3464 @BOND 1 1 12 am 2 2 1 1 3 2 27 1 4 2 28 1 5 3 4 ar 6 3 2 1 7 4 29 1 8 5 4 ar 9 5 11 1 10 6 5 ar 11 6 30 1 12 7 8 ar 13 7 6 ar 14 8 3 ar 15 8 31 1 16 9 1 2 17 10 7 1 18 12 13 1 19 12 32 1 20 13 14 1 21 13 16 1 22 13 33 1 23 14 19 am 24 15 14 2 25 16 17 1 26 16 34 1 27 17 35 1 28 18 16 1 29 18 36 1 30 18 37 1 31 18 38 1 32 19 20 1 33 19 39 1 34 20 21 1 35 20 40 1 36 20 41 1 37 21 26 am 38 22 21 2 39 23 25 1 40 23 24 2 41 23 42 1 42 24 43 1 43 25 44 1 44 25 45 1 45 26 25 1 46 26 46 1