@MOLECULE (2e)-3-{2-[(2-methylbenzyl)oxy]phenyl}acrylaldehyde 35 36 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.1027 0.6382 0.0410 O.3 1 UNL1111111111 -0.3342 2 O -3.4913 -4.1043 -0.1591 O.2 1 UNL1111111111 -0.4423 3 C 2.3671 0.2719 0.2325 C.ar 1 UNL1111111111 -0.0739 4 C 1.3313 1.3556 0.2258 C.3 1 UNL1111111111 -0.0476 5 C 3.5933 0.4235 -0.4244 C.ar 1 UNL1111111111 0.0397 6 C 2.0799 -0.9097 0.9190 C.ar 1 UNL1111111111 -0.1154 7 C -1.0545 1.3393 0.0786 C.ar 1 UNL1111111111 0.2650 8 C 4.5209 -0.6211 -0.3830 C.ar 1 UNL1111111111 -0.1870 9 C -2.1889 0.5290 -0.1566 C.ar 1 UNL1111111111 -0.1434 10 C 3.9312 1.6748 -1.1627 C.3 1 UNL1111111111 -0.4574 11 C 3.0068 -1.9477 0.9490 C.ar 1 UNL1111111111 -0.1709 12 C 4.2294 -1.8006 0.2971 C.ar 1 UNL1111111111 -0.1287 13 C -1.1676 2.7047 0.3342 C.ar 1 UNL1111111111 -0.3104 14 C -3.4441 1.1354 -0.1281 C.ar 1 UNL1111111111 -0.0636 15 C -2.4384 3.2771 0.3575 C.ar 1 UNL1111111111 -0.0578 16 C -3.5710 2.5006 0.1264 C.ar 1 UNL1111111111 -0.2327 17 C -2.0095 -0.8892 -0.4322 C.2 1 UNL1111111111 -0.0336 18 C -2.9054 -1.8333 -0.1105 C.2 1 UNL1111111111 -0.3236 19 C -2.6724 -3.2541 -0.4220 C.2 1 UNL1111111111 0.3481 20 H 1.3054 1.8951 1.1926 H 1 UNL1111111111 0.1425 21 H 1.4439 2.0736 -0.6063 H 1 UNL1111111111 0.1407 22 H 1.1215 -1.0204 1.4299 H 1 UNL1111111111 0.1660 23 H 5.4786 -0.5144 -0.8883 H 1 UNL1111111111 0.1530 24 H 4.9417 1.6494 -1.5947 H 1 UNL1111111111 0.1584 25 H 3.2374 1.8461 -2.0004 H 1 UNL1111111111 0.1637 26 H 3.8925 2.5566 -0.5072 H 1 UNL1111111111 0.1588 27 H 2.7778 -2.8681 1.4821 H 1 UNL1111111111 0.1554 28 H 4.9591 -2.6082 0.3191 H 1 UNL1111111111 0.1501 29 H -0.2952 3.3223 0.5147 H 1 UNL1111111111 0.1638 30 H -4.3367 0.5352 -0.3159 H 1 UNL1111111111 0.1599 31 H -2.5434 4.3435 0.5585 H 1 UNL1111111111 0.1488 32 H -4.5570 2.9581 0.1435 H 1 UNL1111111111 0.1587 33 H -1.0624 -1.1478 -0.9266 H 1 UNL1111111111 0.1646 34 H -3.8426 -1.6161 0.3998 H 1 UNL1111111111 0.1774 35 H -1.7249 -3.5308 -0.9055 H 1 UNL1111111111 0.1078 @BOND 1 1 4 1 2 1 7 1 3 2 19 2 4 3 4 1 5 3 5 ar 6 3 6 ar 7 4 20 1 8 4 21 1 9 5 8 ar 10 5 10 1 11 6 11 ar 12 6 22 1 13 7 9 ar 14 7 13 ar 15 8 12 ar 16 8 23 1 17 9 14 ar 18 9 17 1 19 10 24 1 20 10 25 1 21 10 26 1 22 11 12 ar 23 11 27 1 24 12 28 1 25 13 15 ar 26 13 29 1 27 14 16 ar 28 14 30 1 29 15 16 ar 30 15 31 1 31 16 32 1 32 17 18 2 33 17 33 1 34 18 19 1 35 18 34 1 36 19 35 1