@MOLECULE [(3s)-3-(3,4-dichlorophenyl)-3-{2-[(1s,4's)-2-oxido-3h-spiro[2-benzothiophene-1,1'-cyclohexan]-4'-yl]ethyl}-4-morpholinyl](3,4,5-trimethoxyphenyl)methanone 45 51 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -5.9387 -3.6474 -1.1914 C.2 1 UNL1 0.4720 2 O -5.1063 -3.0265 -1.6664 O.2 1 UNL1 -0.4692 3 C -6.7476 -0.4980 0.7966 C.ar 1 UNL1 0.0691 4 C -5.4100 -0.3602 0.6529 C.ar 1 UNL1 -0.0401 5 C -4.8851 1.0726 0.4834 C.ar 1 UNL1 -0.0827 6 C -5.9534 1.9465 0.5186 C.ar 1 UNL1 0.0007 7 C -7.1994 1.6842 0.6615 C.ar 1 UNL1 -0.0406 8 C -7.8138 0.4247 0.8173 C.ar 1 UNL1 -0.1798 9 O -10.2466 -0.0845 1.0558 O.2 1 UNL1 -0.1558 10 C -9.1225 0.1493 0.9442 C.1 1 UNL1 0.4116 11 O -6.7066 0.0337 -2.8195 O.2 2 UNL2 -0.4531 12 C -5.8137 0.5561 -3.2998 C.2 2 UNL2 0.4531 13 C -3.5045 0.9851 0.3478 C.ar 1 UNL1 0.2315 14 N -3.1854 -0.3657 0.4158 N.ar 1 UNL1 -0.2048 15 C -4.2794 -1.2211 0.6065 C.ar 1 UNL1 -0.1465 16 C -3.9468 -2.6238 0.6823 C.ar 1 UNL1 0.2424 17 O -2.7288 -3.0468 0.6174 O.2 1 UNL1 -0.1255 18 C -1.6269 -2.2032 0.4550 C.ar 1 UNL1 -0.0133 19 C -1.9034 -0.8445 0.3513 C.ar 1 UNL1 0.0898 20 C -0.2749 -2.5236 0.3895 C.ar 1 UNL1 0.1281 21 C 0.7752 -1.6765 0.2472 C.ar 1 UNL1 -0.0726 22 C 2.2136 -1.6310 0.1644 C.3 1 UNL1 0.0694 23 C 3.2474 -2.5441 0.1913 C.2 1 UNL1 -0.0500 24 C 4.4381 -2.8659 0.1564 C.1 1 UNL1 -0.0400 25 C 5.1838 -0.4448 -0.0840 C.1 1 UNL1 -0.0453 26 C 4.0132 -0.0520 -0.0597 C.2 1 UNL1 -0.0582 27 C 2.6491 -0.2312 0.0246 C.2 1 UNL1 0.0371 28 C 6.2703 -1.3161 -0.0565 C.2 1 UNL1 0.0035 29 C 5.8220 -2.7318 0.0726 C.2 1 UNL1 0.0149 30 C 6.8336 -3.6547 0.0782 C.3 1 UNL1 0.0114 31 C 8.1018 -3.2894 -0.0264 C.2 1 UNL1 -0.0418 32 C 8.5045 -2.0468 -0.1136 C.2 1 UNL1 -0.0167 33 C 7.6494 -0.9464 -0.1162 C.3 1 UNL1 0.1027 34 C 8.0666 0.3778 -0.1059 C.3 1 UNL1 -0.4691 35 S 8.4804 1.7064 -0.0302 S.3 1 UNL1 1.0742 36 O 8.8817 3.0478 0.1421 O.2 1 UNL1 -0.5732 37 C -0.9173 0.1528 0.1970 C.ar 1 UNL1 -0.1424 38 C 0.3834 -0.2800 0.1488 C.ar 1 UNL1 0.0264 39 C 1.4863 0.6222 0.0147 C.2 1 UNL1 -0.0613 40 C 1.1605 1.9621 -0.0702 C.2 1 UNL1 0.0739 41 C -0.1841 2.4182 -0.0240 C.2 1 UNL1 -0.1191 42 C -1.2374 1.5306 0.1154 C.3 1 UNL1 0.2086 43 CL -0.5182 4.0746 -0.1254 Cl 1 UNL1 0.0203 44 CL 2.4249 3.0757 -0.2308 Cl 1 UNL1 0.0049 45 O -2.5531 1.9627 0.1762 O.3 1 UNL1 -0.1449 @BOND 1 12 11 2 2 2 1 2 3 44 40 1 4 43 41 1 5 33 32 1 6 33 34 1 7 33 28 1 8 32 31 2 9 34 35 1 10 25 26 2 11 25 28 2 12 40 41 2 13 40 39 1 14 26 27 1 15 28 29 1 16 35 36 2 17 31 30 1 18 41 42 1 19 39 27 2 20 39 38 1 21 27 22 1 22 29 30 1 23 29 24 2 24 42 45 1 25 42 37 1 26 38 37 ar 27 38 21 ar 28 24 23 2 29 22 23 1 30 22 21 1 31 45 13 1 32 37 19 ar 33 21 20 ar 34 13 14 ar 35 13 5 ar 36 19 14 ar 37 19 18 ar 38 20 18 ar 39 14 15 ar 40 18 17 ar 41 5 6 ar 42 5 4 ar 43 6 7 ar 44 15 4 ar 45 15 16 ar 46 17 16 ar 47 4 3 ar 48 7 8 ar 49 3 8 ar 50 8 10 2 51 10 9 2