@MOLECULE 2,2-dichloro-1-(4-{[1-ethoxy-2-(4-nitrophenyl)-2-oxoethyl]amino}phenyl)ethanone 43 44 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL 5.1141 1.6659 -0.8181 Cl 1 UNL1 -0.0907 2 CL 7.4331 1.1286 0.7686 Cl 1 UNL1 -0.0577 3 O -1.0270 0.3514 -0.9049 O.3 1 UNL1 -0.4380 4 O -2.5870 -2.5008 -1.0693 O.2 1 UNL1 -0.4004 5 O 6.0610 -1.3325 0.9586 O.2 1 UNL1 -0.3790 6 O -7.4712 2.4408 0.7777 O.2 1 UNL1 -0.3877 7 O -8.3654 0.5411 1.2532 O.2 1 UNL1 -0.3848 8 N -0.1828 -1.7452 -0.1274 N.pl3 1 UNL1 -0.5720 9 N -7.4295 1.2258 0.8755 N.pl3 1 UNL1 0.6091 10 C -1.2505 -0.7651 -0.0902 C.3 1 UNL1 0.1938 11 C -2.5831 -1.4409 -0.4979 C.2 1 UNL1 0.3940 12 C 1.1408 -1.3676 0.0807 C.ar 1 UNL1 0.3042 13 C -3.8264 -0.7230 -0.1403 C.ar 1 UNL1 -0.1110 14 C 1.4894 -0.1071 0.6066 C.ar 1 UNL1 -0.2893 15 C 2.1501 -2.3150 -0.1979 C.ar 1 UNL1 -0.3159 16 C 3.8235 -0.7370 0.5556 C.ar 1 UNL1 -0.2564 17 C -0.7754 0.1127 -2.2919 C.3 1 UNL1 -0.0134 18 C -4.9199 -1.4770 0.2919 C.ar 1 UNL1 -0.1018 19 C -3.9125 0.6654 -0.2507 C.ar 1 UNL1 -0.1202 20 C 2.8208 0.1954 0.8398 C.ar 1 UNL1 -0.0202 21 C 3.4745 -1.9961 0.0496 C.ar 1 UNL1 0.0129 22 C -6.1088 -0.8392 0.6337 C.ar 1 UNL1 -0.1104 23 C -5.1001 1.3125 0.0778 C.ar 1 UNL1 -0.1081 24 C -6.1839 0.5509 0.5210 C.ar 1 UNL1 -0.0403 25 C -0.6693 1.5130 -2.8762 C.3 1 UNL1 -0.4539 26 C 5.2499 -0.4636 0.7662 C.2 1 UNL1 0.4372 27 C 5.6857 0.9962 0.7125 C.3 1 UNL1 -0.1310 28 H -0.3619 -2.5834 -0.6778 H 1 UNL1 0.3265 29 H -1.3245 -0.2915 0.9284 H 1 UNL1 0.1755 30 H 0.7232 0.6365 0.8122 H 1 UNL1 0.1748 31 H 1.8897 -3.2927 -0.5937 H 1 UNL1 0.1678 32 H -1.6079 -0.4685 -2.7236 H 1 UNL1 0.1221 33 H 0.1689 -0.4513 -2.3940 H 1 UNL1 0.1308 34 H -4.8417 -2.5663 0.3539 H 1 UNL1 0.1797 35 H -3.0546 1.2503 -0.6012 H 1 UNL1 0.1899 36 H 3.0726 1.1732 1.2536 H 1 UNL1 0.1486 37 H 4.2628 -2.7301 -0.1516 H 1 UNL1 0.1712 38 H -6.9729 -1.4159 0.9803 H 1 UNL1 0.1913 39 H -5.1849 2.4012 -0.0078 H 1 UNL1 0.1911 40 H -1.6139 2.0633 -2.7877 H 1 UNL1 0.1551 41 H -0.3940 1.4777 -3.9370 H 1 UNL1 0.1590 42 H 0.0975 2.1013 -2.3509 H 1 UNL1 0.1659 43 H 5.2738 1.6097 1.5375 H 1 UNL1 0.1815 @BOND 1 41 25 1 2 25 40 1 3 25 42 1 4 25 17 1 5 32 17 1 6 33 17 1 7 17 3 1 8 4 11 2 9 3 10 1 10 1 27 1 11 28 8 1 12 35 19 1 13 31 15 1 14 11 13 1 15 11 10 1 16 19 13 ar 17 19 23 ar 18 15 21 ar 19 15 12 ar 20 37 21 1 21 13 18 ar 22 8 10 1 23 8 12 1 24 10 29 1 25 39 23 1 26 21 16 ar 27 23 24 ar 28 12 14 ar 29 18 34 1 30 18 22 ar 31 24 22 ar 32 24 9 1 33 16 26 1 34 16 20 ar 35 14 30 1 36 14 20 ar 37 22 38 1 38 27 26 1 39 27 2 1 40 27 43 1 41 26 5 2 42 6 9 2 43 20 36 1 44 9 7 2