@MOLECULE n-{(3e)-4-[3-(4-chlorophenoxy)phenyl]-3-buten-2-yl}-n-hydroxyacetamide 41 42 0 0 0 SMALL GASTEIGER @ATOM 1 CL -3.9198 -3.5134 -0.3157 Cl 1 UNL111111 -0.0902 2 O -2.8077 2.1509 0.3761 O.3 1 UNL111111 -0.3151 3 O 2.6389 -2.1896 -0.0682 O.3 1 UNL111111 -0.3213 4 O 5.4659 -0.4223 -0.6878 O.2 1 UNL111111 -0.4940 5 N 3.7846 -1.5058 0.3868 N.am 1 UNL111111 -0.3370 6 C 3.3967 -0.2945 1.1425 C.3 1 UNL111111 0.0624 7 C 2.1588 0.3734 0.6100 C.2 1 UNL111111 -0.1576 8 C 3.1375 -0.7095 2.6019 C.3 1 UNL111111 -0.4516 9 C 0.8460 2.3913 0.0612 C.ar 1 UNL111111 0.0564 10 C 2.0708 1.7003 0.4643 C.2 1 UNL111111 -0.1823 11 C -0.4071 1.8785 0.4025 C.ar 1 UNL111111 -0.2566 12 C -1.5449 2.5842 0.0160 C.ar 1 UNL111111 0.2201 13 C 0.9250 3.5998 -0.6457 C.ar 1 UNL111111 -0.1985 14 C 4.7005 -1.3584 -0.6979 C.2 1 UNL111111 0.5893 15 C -1.4882 3.7905 -0.6763 C.ar 1 UNL111111 -0.2264 16 C -0.2294 4.2923 -1.0033 C.ar 1 UNL111111 -0.0964 17 C -3.0210 0.8049 0.1760 C.ar 1 UNL111111 0.2150 18 C 4.7438 -2.4923 -1.6671 C.3 1 UNL111111 -0.5134 19 C -2.6334 0.1687 -1.0060 C.ar 1 UNL111111 -0.2222 20 C -3.7121 0.1441 1.1944 C.ar 1 UNL111111 -0.1991 21 C -2.9305 -1.1810 -1.1666 C.ar 1 UNL111111 -0.1176 22 C -4.0037 -1.2070 1.0272 C.ar 1 UNL111111 -0.1266 23 C -3.5962 -1.8413 -0.1400 C.ar 1 UNL111111 -0.0204 24 H 4.2861 0.4038 1.1110 H 1 UNL111111 0.1776 25 H 1.3314 -0.2984 0.3806 H 1 UNL111111 0.1672 26 H 2.3120 -1.4234 2.6823 H 1 UNL111111 0.1509 27 H 2.8756 0.1625 3.2121 H 1 UNL111111 0.1565 28 H 4.0289 -1.1718 3.0431 H 1 UNL111111 0.1578 29 H 2.9261 2.3558 0.6542 H 1 UNL111111 0.1624 30 H -0.4979 0.9543 0.9685 H 1 UNL111111 0.1733 31 H 1.9007 4.0011 -0.9167 H 1 UNL111111 0.1605 32 H -2.4012 4.3114 -0.9502 H 1 UNL111111 0.1739 33 H -0.1499 5.2369 -1.5425 H 1 UNL111111 0.1529 34 H 5.6326 -2.4246 -2.3128 H 1 UNL111111 0.1816 35 H 3.8485 -2.4990 -2.3099 H 1 UNL111111 0.1863 36 H 4.7741 -3.4622 -1.1470 H 1 UNL111111 0.1805 37 H 2.5433 -2.9367 0.5919 H 1 UNL111111 0.2975 38 H -2.1095 0.7202 -1.7852 H 1 UNL111111 0.1793 39 H -4.0049 0.6774 2.0971 H 1 UNL111111 0.1797 40 H -2.6459 -1.7000 -2.0832 H 1 UNL111111 0.1737 41 H -4.5342 -1.7540 1.8077 H 1 UNL111111 0.1718 @BOND 1 1 23 1 2 2 12 1 3 2 17 1 4 3 5 1 5 3 37 1 6 4 14 2 7 5 6 1 8 5 14 am 9 6 7 1 10 6 8 1 11 6 24 1 12 7 10 2 13 7 25 1 14 8 26 1 15 8 27 1 16 8 28 1 17 9 10 1 18 9 11 ar 19 9 13 ar 20 10 29 1 21 11 12 ar 22 11 30 1 23 12 15 ar 24 13 16 ar 25 13 31 1 26 14 18 1 27 15 16 ar 28 15 32 1 29 16 33 1 30 17 19 ar 31 17 20 ar 32 18 34 1 33 18 35 1 34 18 36 1 35 19 21 ar 36 19 38 1 37 20 22 ar 38 20 39 1 39 21 23 ar 40 21 40 1 41 22 23 ar 42 22 41 1