@MOLECULE 1-(4-hydroxy-3-methoxyphenyl)-3,5-decanedione 45 45 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.8635 1.6666 1.1234 O.2 1 UNL1111111111 -0.4667 2 O 3.8058 1.5689 0.2455 O.2 1 UNL1111111111 -0.4443 3 O -1.9328 -1.0012 1.3832 O.3 1 UNL1111111111 -0.2688 4 O -2.5376 -2.4930 -0.6307 O.3 1 UNL1111111111 -0.4422 5 C -1.2728 3.0697 -0.1813 C.3 1 UNL1111111111 -0.2497 6 C -1.9762 1.8470 -0.7826 C.3 1 UNL1111111111 -0.2787 7 C 0.1956 3.1378 -0.6170 C.3 1 UNL1111111111 -0.3839 8 C -3.4559 1.8169 -0.3766 C.3 1 UNL1111111111 -0.2440 9 C 1.8189 1.1786 -0.9912 C.3 1 UNL1111111111 -0.5127 10 C 3.5697 -0.6569 -0.5441 C.3 1 UNL1111111111 -0.3757 11 C 0.9595 1.9751 -0.0365 C.2 1 UNL1111111111 0.5255 12 C 2.9071 -1.5630 0.5036 C.3 1 UNL1111111111 -0.2583 13 C 3.1265 0.7740 -0.3496 C.2 1 UNL1111111111 0.5117 14 C 1.4663 -1.8270 0.1826 C.ar 1 UNL1111111111 0.0070 15 C -4.1173 0.5266 -0.8582 C.3 1 UNL1111111111 -0.4482 16 C 0.4687 -1.2538 0.9831 C.ar 1 UNL1111111111 -0.2598 17 C 1.1230 -2.6320 -0.8971 C.ar 1 UNL1111111111 -0.1866 18 C -0.8685 -1.4878 0.6980 C.ar 1 UNL1111111111 0.1618 19 C -0.2209 -2.8753 -1.1979 C.ar 1 UNL1111111111 -0.2465 20 C -1.2084 -2.3103 -0.4055 C.ar 1 UNL1111111111 0.1720 21 C -1.6424 -0.1167 2.4608 C.3 1 UNL1111111111 -0.2213 22 H -1.7961 3.9959 -0.4842 H 1 UNL1111111111 0.1374 23 H -1.3327 3.0338 0.9259 H 1 UNL1111111111 0.1535 24 H -1.4824 0.9154 -0.4389 H 1 UNL1111111111 0.1481 25 H -1.8879 1.8493 -1.8834 H 1 UNL1111111111 0.1329 26 H 0.6574 4.0802 -0.2502 H 1 UNL1111111111 0.1746 27 H 0.2669 3.1778 -1.7188 H 1 UNL1111111111 0.1564 28 H -3.9837 2.6949 -0.7910 H 1 UNL1111111111 0.1273 29 H -3.5471 1.8932 0.7238 H 1 UNL1111111111 0.1335 30 H 1.2335 0.2846 -1.3095 H 1 UNL1111111111 0.2027 31 H 2.0397 1.7430 -1.9189 H 1 UNL1111111111 0.1848 32 H 3.3428 -1.0096 -1.5673 H 1 UNL1111111111 0.1615 33 H 4.6741 -0.7151 -0.4390 H 1 UNL1111111111 0.1689 34 H 3.0166 -1.1084 1.5127 H 1 UNL1111111111 0.1649 35 H 3.4606 -2.5244 0.5637 H 1 UNL1111111111 0.1543 36 H -3.6243 -0.3574 -0.4220 H 1 UNL1111111111 0.1707 37 H -4.0640 0.4252 -1.9460 H 1 UNL1111111111 0.1367 38 H -5.1716 0.4839 -0.5683 H 1 UNL1111111111 0.1386 39 H 0.7554 -0.6104 1.8168 H 1 UNL1111111111 0.1905 40 H 1.8966 -3.0843 -1.5121 H 1 UNL1111111111 0.1524 41 H -0.4831 -3.5060 -2.0418 H 1 UNL1111111111 0.1572 42 H -2.6916 -3.1204 -1.3792 H 1 UNL1111111111 0.3175 43 H -2.6487 0.1662 2.7960 H 1 UNL1111111111 0.1522 44 H -1.0909 0.7671 2.1146 H 1 UNL1111111111 0.1560 45 H -1.1000 -0.6360 3.2560 H 1 UNL1111111111 0.1370 @BOND 1 1 11 2 2 2 13 2 3 3 18 1 4 3 21 1 5 4 20 1 6 4 42 1 7 5 6 1 8 5 7 1 9 5 22 1 10 5 23 1 11 6 8 1 12 6 24 1 13 6 25 1 14 7 11 1 15 7 26 1 16 7 27 1 17 8 15 1 18 8 28 1 19 8 29 1 20 9 11 1 21 9 13 1 22 9 30 1 23 9 31 1 24 10 12 1 25 10 13 1 26 10 32 1 27 10 33 1 28 12 14 1 29 12 34 1 30 12 35 1 31 14 16 ar 32 14 17 ar 33 15 36 1 34 15 37 1 35 15 38 1 36 16 18 ar 37 16 39 1 38 17 19 ar 39 17 40 1 40 18 20 ar 41 19 20 ar 42 19 41 1 43 21 43 1 44 21 44 1 45 21 45 1