@MOLECULE 2-(4-morpholinylmethyl)-1-(2,3,4-trimethoxyphenyl)-2-propen-1-one 46 47 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.4583 2.0669 0.5398 O.3 1 UNL1111111111 -0.3894 2 O -0.7089 -2.2828 -1.6544 O.2 1 UNL1111111111 -0.4364 3 O 0.4892 1.0752 -1.0397 O.3 1 UNL1111111111 -0.3072 4 O 2.9295 1.8965 -0.4467 O.3 1 UNL1111111111 -0.3027 5 O 4.8160 -0.0181 0.6320 O.3 1 UNL1111111111 -0.3008 6 N -3.0245 -0.3317 0.1286 N.3 1 UNL1111111111 -0.4150 7 C -4.3942 -0.1642 -0.4159 C.3 1 UNL1111111111 -0.1630 8 C -2.8832 0.4334 1.3913 C.3 1 UNL1111111111 -0.1646 9 C -2.7108 -1.7703 0.3238 C.3 1 UNL1111111111 -0.1303 10 C -4.6237 1.3393 -0.6627 C.3 1 UNL1111111111 -0.0413 11 C -3.1575 1.9150 1.0783 C.3 1 UNL1111111111 -0.0436 12 C -1.2406 -1.9244 0.6078 C.2 1 UNL1111111111 -0.0931 13 C -0.3548 -1.8305 -0.5931 C.2 1 UNL1111111111 0.5044 14 C 0.9873 -1.2408 -0.3809 C.ar 1 UNL1111111111 -0.3232 15 C -0.7666 -2.1688 1.8294 C.2 1 UNL1111111111 -0.2781 16 C 1.3033 0.1019 -0.5772 C.ar 1 UNL1111111111 0.2830 17 C 1.9820 -2.1204 0.0754 C.ar 1 UNL1111111111 -0.0342 18 C 2.5832 0.5906 -0.2151 C.ar 1 UNL1111111111 -0.0539 19 C 3.5471 -0.2966 0.2626 C.ar 1 UNL1111111111 0.2523 20 C 3.2468 -1.6700 0.3922 C.ar 1 UNL1111111111 -0.2944 21 C -0.5762 0.6965 -1.9059 C.3 1 UNL1111111111 -0.2261 22 C 2.1974 2.8226 0.3568 C.3 1 UNL1111111111 -0.2098 23 C 5.3026 1.3060 0.4459 C.3 1 UNL1111111111 -0.1908 24 H -4.4655 -0.7192 -1.3758 H 1 UNL1111111111 0.1475 25 H -5.1795 -0.5611 0.2605 H 1 UNL1111111111 0.1265 26 H -3.5681 0.0793 2.1891 H 1 UNL1111111111 0.1248 27 H -1.8431 0.3127 1.7651 H 1 UNL1111111111 0.1531 28 H -3.3234 -2.2417 1.1232 H 1 UNL1111111111 0.1248 29 H -2.9579 -2.3118 -0.6254 H 1 UNL1111111111 0.1702 30 H -3.9365 1.7332 -1.4322 H 1 UNL1111111111 0.1298 31 H -5.6689 1.5570 -0.9425 H 1 UNL1111111111 0.1367 32 H -3.1936 2.5320 1.9923 H 1 UNL1111111111 0.1361 33 H -2.4117 2.3257 0.3742 H 1 UNL1111111111 0.1336 34 H 0.2854 -2.2860 2.0558 H 1 UNL1111111111 0.1625 35 H -1.3918 -2.2700 2.7042 H 1 UNL1111111111 0.1490 36 H 1.7471 -3.1833 0.1752 H 1 UNL1111111111 0.1589 37 H 4.0229 -2.3480 0.7386 H 1 UNL1111111111 0.1792 38 H -1.4296 0.3383 -1.3113 H 1 UNL1111111111 0.1775 39 H -0.2622 -0.0486 -2.6437 H 1 UNL1111111111 0.1536 40 H -0.8210 1.6468 -2.3956 H 1 UNL1111111111 0.1474 41 H 1.1632 2.8991 0.0016 H 1 UNL1111111111 0.1495 42 H 2.2250 2.5470 1.4133 H 1 UNL1111111111 0.1260 43 H 2.7311 3.7634 0.1808 H 1 UNL1111111111 0.1397 44 H 5.2212 1.6113 -0.6037 H 1 UNL1111111111 0.1500 45 H 6.3544 1.2044 0.7434 H 1 UNL1111111111 0.1445 46 H 4.7753 2.0067 1.0994 H 1 UNL1111111111 0.1374 @BOND 1 1 10 1 2 1 11 1 3 2 13 2 4 3 16 1 5 3 21 1 6 4 18 1 7 4 22 1 8 5 19 1 9 5 23 1 10 6 7 1 11 6 8 1 12 6 9 1 13 7 10 1 14 7 24 1 15 7 25 1 16 8 11 1 17 8 26 1 18 8 27 1 19 9 12 1 20 9 28 1 21 9 29 1 22 10 30 1 23 10 31 1 24 11 32 1 25 11 33 1 26 12 13 1 27 12 15 2 28 13 14 1 29 14 16 ar 30 14 17 ar 31 15 34 1 32 15 35 1 33 16 18 ar 34 17 20 ar 35 17 36 1 36 18 19 ar 37 19 20 ar 38 20 37 1 39 21 38 1 40 21 39 1 41 21 40 1 42 22 41 1 43 22 42 1 44 22 43 1 45 23 44 1 46 23 45 1 47 23 46 1