@MOLECULE (4e)-1-(4-hydroxy-3-methoxyphenyl)-4-tetradecen-3-one 56 56 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.1539 -0.6171 -1.4163 O.2 1 UNL1111111111 -0.4866 2 O 0.6982 0.9172 -1.4387 O.3 1 UNL1111111111 -0.2692 3 O 1.6169 1.9260 0.7531 O.3 1 UNL1111111111 -0.4420 4 C 1.8476 -2.4013 0.1483 C.3 1 UNL1111111111 -0.2685 5 C 2.6343 -1.1223 0.4532 C.3 1 UNL1111111111 -0.2816 6 C 0.4023 -2.2640 0.6422 C.3 1 UNL1111111111 -0.2733 7 C 4.0729 -1.2193 -0.0664 C.3 1 UNL1111111111 -0.2690 8 C -0.3938 -3.5416 0.3522 C.3 1 UNL1111111111 -0.2596 9 C 4.8302 0.0809 0.2342 C.3 1 UNL1111111111 -0.2712 10 C -1.8380 -3.4189 0.8615 C.3 1 UNL1111111111 -0.3071 11 C 6.2580 0.0230 -0.3225 C.3 1 UNL1111111111 -0.2503 12 C 7.0065 1.3257 -0.0378 C.3 1 UNL1111111111 -0.4400 13 C -2.5945 -2.4090 0.0682 C.2 1 UNL1111111111 0.0042 14 C -3.3244 -1.4334 0.6248 C.2 1 UNL1111111111 -0.3619 15 C -4.6020 0.7682 0.4548 C.3 1 UNL1111111111 -0.3690 16 C -3.9477 2.0220 -0.1446 C.3 1 UNL1111111111 -0.2602 17 C -4.0340 -0.4612 -0.2216 C.2 1 UNL1111111111 0.4979 18 C -2.4712 2.0164 0.1174 C.ar 1 UNL1111111111 0.0147 19 C -1.6124 1.4522 -0.8370 C.ar 1 UNL1111111111 -0.2665 20 C -1.9620 2.5429 1.2981 C.ar 1 UNL1111111111 -0.1776 21 C -0.2464 1.4226 -0.6037 C.ar 1 UNL1111111111 0.1601 22 C -0.5850 2.5238 1.5429 C.ar 1 UNL1111111111 -0.2418 23 C 0.2660 1.9736 0.5971 C.ar 1 UNL1111111111 0.1773 24 C 0.2209 0.1994 -2.5704 C.3 1 UNL1111111111 -0.2157 25 H 2.3351 -3.2699 0.6268 H 1 UNL1111111111 0.1304 26 H 1.8604 -2.6022 -0.9388 H 1 UNL1111111111 0.1328 27 H 2.1270 -0.2475 -0.0091 H 1 UNL1111111111 0.1689 28 H 2.6344 -0.9232 1.5395 H 1 UNL1111111111 0.1327 29 H -0.0805 -1.3915 0.1588 H 1 UNL1111111111 0.1471 30 H 0.3911 -2.0430 1.7254 H 1 UNL1111111111 0.1375 31 H 4.0692 -1.4117 -1.1551 H 1 UNL1111111111 0.1327 32 H 4.5906 -2.0786 0.3962 H 1 UNL1111111111 0.1296 33 H -0.3853 -3.7581 -0.7324 H 1 UNL1111111111 0.1383 34 H 0.0974 -4.4071 0.8354 H 1 UNL1111111111 0.1366 35 H 4.8540 0.2626 1.3238 H 1 UNL1111111111 0.1324 36 H 4.2853 0.9406 -0.2034 H 1 UNL1111111111 0.1474 37 H -1.8344 -3.1771 1.9439 H 1 UNL1111111111 0.1535 38 H -2.3509 -4.4023 0.7840 H 1 UNL1111111111 0.1553 39 H 6.8030 -0.8310 0.1205 H 1 UNL1111111111 0.1299 40 H 6.2300 -0.1657 -1.4121 H 1 UNL1111111111 0.1325 41 H 8.0249 1.2950 -0.4385 H 1 UNL1111111111 0.1369 42 H 6.4983 2.1841 -0.4916 H 1 UNL1111111111 0.1443 43 H 7.0800 1.5172 1.0379 H 1 UNL1111111111 0.1399 44 H -2.5207 -2.5108 -1.0204 H 1 UNL1111111111 0.1599 45 H -4.4510 0.7444 1.5493 H 1 UNL1111111111 0.1578 46 H -5.6983 0.7978 0.2928 H 1 UNL1111111111 0.1655 47 H -3.4057 -1.2999 1.6986 H 1 UNL1111111111 0.1653 48 H -4.4199 2.9314 0.2770 H 1 UNL1111111111 0.1480 49 H -4.1557 2.0625 -1.2366 H 1 UNL1111111111 0.1653 50 H -2.0360 1.0360 -1.7500 H 1 UNL1111111111 0.1797 51 H -2.6297 2.9732 2.0397 H 1 UNL1111111111 0.1523 52 H -0.1909 2.9392 2.4655 H 1 UNL1111111111 0.1575 53 H 1.8921 2.3233 1.6158 H 1 UNL1111111111 0.3174 54 H -0.4159 -0.6389 -2.2725 H 1 UNL1111111111 0.1358 55 H -0.2989 0.8669 -3.2642 H 1 UNL1111111111 0.1371 56 H 1.1564 -0.1681 -3.0142 H 1 UNL1111111111 0.1563 @BOND 1 1 17 2 2 2 21 1 3 2 24 1 4 3 23 1 5 3 53 1 6 4 5 1 7 4 6 1 8 4 25 1 9 4 26 1 10 5 7 1 11 5 27 1 12 5 28 1 13 6 8 1 14 6 29 1 15 6 30 1 16 7 9 1 17 7 31 1 18 7 32 1 19 8 10 1 20 8 33 1 21 8 34 1 22 9 11 1 23 9 35 1 24 9 36 1 25 10 13 1 26 10 37 1 27 10 38 1 28 11 12 1 29 11 39 1 30 11 40 1 31 12 41 1 32 12 42 1 33 12 43 1 34 13 14 2 35 13 44 1 36 14 17 1 37 14 47 1 38 15 16 1 39 15 17 1 40 15 45 1 41 15 46 1 42 16 18 1 43 16 48 1 44 16 49 1 45 18 19 ar 46 18 20 ar 47 19 21 ar 48 19 50 1 49 20 22 ar 50 20 51 1 51 21 23 ar 52 22 23 ar 53 22 52 1 54 24 54 1 55 24 55 1 56 24 56 1