@MOLECULE ethyl n-benzoyl-n-(3,4-dichlorophenyl)alaninate 41 42 0 0 0 SMALL GASTEIGER @ATOM 1 CL 3.5142 -1.4027 1.6918 Cl 1 UNL1111111111 -0.0355 2 CL 3.5954 -2.5810 -1.2075 Cl 1 UNL1111111111 -0.0364 3 O -4.4163 -0.7773 0.1948 O.3 1 UNL1111111111 -0.4334 4 O -1.9679 2.5667 0.8714 O.2 1 UNL1111111111 -0.4850 5 O -2.9013 -0.2605 -1.3760 O.2 1 UNL1111111111 -0.5165 6 N -1.0663 0.5110 0.6486 N.am 1 UNL1111111111 -0.5242 7 C -2.3227 -0.1349 1.0213 C.3 1 UNL1111111111 0.0636 8 C 0.0273 -0.2888 0.1968 C.ar 1 UNL1111111111 0.1943 9 C -2.0929 -1.4675 1.7328 C.3 1 UNL1111111111 -0.4614 10 C -1.0119 1.9063 0.5367 C.2 1 UNL1111111111 0.5959 11 C -3.1927 -0.3800 -0.2153 C.2 1 UNL1111111111 0.5705 12 C 0.2787 2.4509 0.0415 C.ar 1 UNL1111111111 -0.1219 13 C 1.1004 -0.4849 1.0775 C.ar 1 UNL1111111111 -0.1851 14 C 0.0535 -0.8205 -1.0981 C.ar 1 UNL1111111111 -0.1708 15 C 2.2032 -1.1973 0.6285 C.ar 1 UNL1111111111 -0.0092 16 C 1.1643 -1.5408 -1.5263 C.ar 1 UNL1111111111 -0.1341 17 C 0.4883 2.5715 -1.3308 C.ar 1 UNL1111111111 -0.1084 18 C 1.2652 2.8200 0.9541 C.ar 1 UNL1111111111 -0.1138 19 C 2.2366 -1.7181 -0.6582 C.ar 1 UNL1111111111 -0.0260 20 C -5.3879 -1.0190 -0.8377 C.3 1 UNL1111111111 0.0116 21 C 1.7147 3.0428 -1.7953 C.ar 1 UNL1111111111 -0.1509 22 C 2.4898 3.2868 0.4831 C.ar 1 UNL1111111111 -0.1518 23 C 2.7155 3.3912 -0.8892 C.ar 1 UNL1111111111 -0.1216 24 C -6.6409 -1.4148 -0.0757 C.3 1 UNL1111111111 -0.4628 25 H -2.8858 0.5764 1.7043 H 1 UNL1111111111 0.2014 26 H -3.0472 -1.8984 2.0693 H 1 UNL1111111111 0.1702 27 H -1.6083 -2.2105 1.0863 H 1 UNL1111111111 0.1625 28 H -1.4562 -1.3405 2.6189 H 1 UNL1111111111 0.1686 29 H 1.0644 -0.0683 2.0858 H 1 UNL1111111111 0.1889 30 H -0.7928 -0.6563 -1.7760 H 1 UNL1111111111 0.2075 31 H 1.1912 -1.9510 -2.5386 H 1 UNL1111111111 0.1817 32 H -0.2980 2.2936 -2.0340 H 1 UNL1111111111 0.1661 33 H 1.0810 2.7418 2.0249 H 1 UNL1111111111 0.1588 34 H -5.5121 -0.0900 -1.4224 H 1 UNL1111111111 0.1377 35 H -5.0068 -1.8206 -1.4937 H 1 UNL1111111111 0.1321 36 H 1.8909 3.1343 -2.8655 H 1 UNL1111111111 0.1560 37 H 3.2716 3.5668 1.1869 H 1 UNL1111111111 0.1555 38 H 3.6773 3.7484 -1.2542 H 1 UNL1111111111 0.1508 39 H -7.4729 -1.6141 -0.7606 H 1 UNL1111111111 0.1543 40 H -6.4757 -2.3164 0.5283 H 1 UNL1111111111 0.1578 41 H -6.9549 -0.6205 0.6156 H 1 UNL1111111111 0.1632 @BOND 1 1 15 1 2 2 19 1 3 3 11 1 4 3 20 1 5 4 10 2 6 5 11 2 7 6 7 1 8 6 8 1 9 6 10 am 10 7 9 1 11 7 11 1 12 7 25 1 13 8 13 ar 14 8 14 ar 15 9 26 1 16 9 27 1 17 9 28 1 18 10 12 1 19 12 17 ar 20 12 18 ar 21 13 15 ar 22 13 29 1 23 14 16 ar 24 14 30 1 25 15 19 ar 26 16 19 ar 27 16 31 1 28 17 21 ar 29 17 32 1 30 18 22 ar 31 18 33 1 32 20 24 1 33 20 34 1 34 20 35 1 35 21 23 ar 36 21 36 1 37 22 23 ar 38 22 37 1 39 23 38 1 40 24 39 1 41 24 40 1 42 24 41 1