@MOLECULE 1-(2',3',4'-trimethoxy-4-biphenylyl)ethanone 39 40 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.5264 -1.7276 -0.0060 O.3 1 UNL1111111111 -0.2859 2 O 3.4157 -1.5904 0.0425 O.3 1 UNL1111111111 -0.2989 3 O 4.5673 0.8113 0.1746 O.3 1 UNL1111111111 -0.2907 4 O -5.8601 -0.3709 0.9969 O.2 1 UNL1111111111 -0.4590 5 C 0.4281 0.5657 0.1119 C.ar 1 UNL1111111111 -0.1857 6 C -1.0296 0.4325 0.0838 C.ar 1 UNL1111111111 0.0800 7 C 1.2462 -0.5866 0.0444 C.ar 1 UNL1111111111 0.2452 8 C 2.6382 -0.4620 0.0397 C.ar 1 UNL1111111111 -0.0487 9 C 1.0245 1.8182 0.2003 C.ar 1 UNL1111111111 -0.0413 10 C 3.2114 0.8217 0.1552 C.ar 1 UNL1111111111 0.2414 11 C -1.7690 1.1250 -0.8825 C.ar 1 UNL1111111111 -0.1907 12 C -1.6865 -0.3751 1.0169 C.ar 1 UNL1111111111 -0.1705 13 C 2.4107 1.9597 0.2317 C.ar 1 UNL1111111111 -0.3428 14 C -3.8093 0.1969 0.0116 C.ar 1 UNL1111111111 -0.1743 15 C -3.1539 1.0045 -0.9189 C.ar 1 UNL1111111111 -0.1046 16 C -3.0726 -0.4869 0.9825 C.ar 1 UNL1111111111 -0.0786 17 C -5.2835 0.0389 0.0166 C.2 1 UNL1111111111 0.4921 18 C 1.2175 -2.9711 -0.0221 C.3 1 UNL1111111111 -0.1942 19 C -6.0456 0.3835 -1.2308 C.3 1 UNL1111111111 -0.5472 20 C 4.2220 -1.7196 -1.1286 C.3 1 UNL1111111111 -0.2127 21 C 5.2212 2.0700 0.2851 C.3 1 UNL1111111111 -0.2092 22 H 0.3935 2.7081 0.2576 H 1 UNL1111111111 0.1604 23 H -1.2549 1.7481 -1.6111 H 1 UNL1111111111 0.1573 24 H -1.1085 -0.9161 1.7658 H 1 UNL1111111111 0.1688 25 H 2.8447 2.9488 0.3197 H 1 UNL1111111111 0.1688 26 H -3.7192 1.5460 -1.6755 H 1 UNL1111111111 0.1482 27 H -3.5946 -1.1075 1.7160 H 1 UNL1111111111 0.1707 28 H 1.7952 -3.0828 -0.9435 H 1 UNL1111111111 0.1379 29 H 0.3852 -3.6874 0.0091 H 1 UNL1111111111 0.1475 30 H 1.8588 -3.0775 0.8600 H 1 UNL1111111111 0.1494 31 H -5.6069 -0.0858 -2.1202 H 1 UNL1111111111 0.1723 32 H -6.0705 1.4687 -1.3944 H 1 UNL1111111111 0.1728 33 H -7.0910 0.0452 -1.1581 H 1 UNL1111111111 0.1802 34 H 3.6166 -1.6597 -2.0363 H 1 UNL1111111111 0.1284 35 H 4.6569 -2.7185 -1.0069 H 1 UNL1111111111 0.1449 36 H 5.0103 -0.9597 -1.1383 H 1 UNL1111111111 0.1415 37 H 5.0017 2.7040 -0.5789 H 1 UNL1111111111 0.1348 38 H 6.2799 1.7767 0.2909 H 1 UNL1111111111 0.1525 39 H 4.9590 2.5658 1.2252 H 1 UNL1111111111 0.1395 @BOND 1 1 7 1 2 1 18 1 3 2 8 1 4 2 20 1 5 3 10 1 6 3 21 1 7 4 17 2 8 5 6 1 9 5 7 ar 10 5 9 ar 11 6 11 ar 12 6 12 ar 13 7 8 ar 14 8 10 ar 15 9 13 ar 16 9 22 1 17 10 13 ar 18 11 15 ar 19 11 23 1 20 12 16 ar 21 12 24 1 22 13 25 1 23 14 15 ar 24 14 16 ar 25 14 17 1 26 15 26 1 27 16 27 1 28 17 19 1 29 18 28 1 30 18 29 1 31 18 30 1 32 19 31 1 33 19 32 1 34 19 33 1 35 20 34 1 36 20 35 1 37 20 36 1 38 21 37 1 39 21 38 1 40 21 39 1