@MOLECULE 3-hydroxy-5-methoxy-4,6,6-trimethyl-2-[(2e)-3-phenyl-2-propenoyl]-2,4-cyclohexadien-1-one 43 44 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.2149 1.2663 -0.6184 O.2 1 UNL11111111111 -0.3484 2 O -0.1411 1.0279 1.7603 O.2 1 UNL11111111111 -0.4625 3 O -1.5263 -2.7239 -0.5909 O.2 1 UNL11111111111 -0.4098 4 O 0.3222 -2.7638 1.4628 O.2 1 UNL11111111111 -0.4250 5 C -2.1877 1.2878 0.6024 C.3 1 UNL11111111111 -0.0700 6 C -3.1199 0.5192 -0.2913 C.2 1 UNL11111111111 0.2917 7 C -0.9544 0.4835 1.0510 C.2 1 UNL11111111111 0.5058 8 C -2.9578 1.6797 1.8699 C.3 1 UNL11111111111 -0.4312 9 C -1.6703 2.5241 -0.1392 C.3 1 UNL11111111111 -0.4359 10 C -2.9811 -0.7866 -0.6190 C.2 1 UNL11111111111 -0.2678 11 C -0.8232 -0.8912 0.6014 C.2 1 UNL11111111111 -0.4761 12 C -1.7763 -1.4716 -0.1801 C.2 1 UNL11111111111 0.4276 13 C -4.0133 -1.5598 -1.3575 C.3 1 UNL11111111111 -0.4238 14 C 0.3774 -1.6402 1.0313 C.2 1 UNL11111111111 0.5314 15 C -4.3667 1.5393 -2.0091 C.3 1 UNL11111111111 -0.1872 16 C 1.6510 -0.8924 0.9011 C.2 1 UNL11111111111 -0.2261 17 C 2.4028 -0.9508 -0.2005 C.2 1 UNL11111111111 -0.1422 18 C 3.6331 -0.1753 -0.3598 C.ar 1 UNL11111111111 -0.0012 19 C 3.6983 1.1543 0.0709 C.ar 1 UNL11111111111 -0.1527 20 C 4.7496 -0.7651 -0.9604 C.ar 1 UNL11111111111 -0.1593 21 C 4.8725 1.8837 -0.0966 C.ar 1 UNL11111111111 -0.1480 22 C 5.9231 -0.0333 -1.1211 C.ar 1 UNL11111111111 -0.1469 23 C 5.9855 1.2919 -0.6919 C.ar 1 UNL11111111111 -0.1563 24 H -3.8208 2.3147 1.6340 H 1 UNL11111111111 0.1588 25 H -3.3306 0.7995 2.4081 H 1 UNL11111111111 0.1561 26 H -2.3094 2.2389 2.5611 H 1 UNL11111111111 0.1735 27 H -1.1399 2.2563 -1.0598 H 1 UNL11111111111 0.1493 28 H -2.4867 3.2082 -0.3968 H 1 UNL11111111111 0.1534 29 H -0.9616 3.0837 0.4928 H 1 UNL11111111111 0.1768 30 H -3.7509 -1.7066 -2.4152 H 1 UNL11111111111 0.1530 31 H -4.9966 -1.0591 -1.3306 H 1 UNL11111111111 0.1723 32 H -4.1903 -2.5486 -0.9030 H 1 UNL11111111111 0.1580 33 H -2.2543 -3.1172 -1.1414 H 1 UNL11111111111 0.3305 34 H -5.3382 2.0506 -2.0405 H 1 UNL11111111111 0.1536 35 H -4.3888 0.6309 -2.6149 H 1 UNL11111111111 0.1344 36 H -3.5650 2.2088 -2.3401 H 1 UNL11111111111 0.1359 37 H 1.8987 -0.2808 1.7729 H 1 UNL11111111111 0.1924 38 H 2.1373 -1.5869 -1.0477 H 1 UNL11111111111 0.1575 39 H 2.8278 1.6176 0.5362 H 1 UNL11111111111 0.1637 40 H 4.7035 -1.7997 -1.2943 H 1 UNL11111111111 0.1537 41 H 4.9222 2.9174 0.2389 H 1 UNL11111111111 0.1473 42 H 6.7934 -0.4959 -1.5818 H 1 UNL11111111111 0.1470 43 H 6.9023 1.8624 -0.8205 H 1 UNL11111111111 0.1468 @BOND 1 1 6 1 2 1 15 1 3 2 7 2 4 3 12 1 5 3 33 1 6 4 14 2 7 5 6 1 8 5 7 1 9 5 8 1 10 5 9 1 11 6 10 2 12 7 11 1 13 8 24 1 14 8 25 1 15 8 26 1 16 9 27 1 17 9 28 1 18 9 29 1 19 10 12 1 20 10 13 1 21 11 12 2 22 11 14 1 23 13 30 1 24 13 31 1 25 13 32 1 26 14 16 1 27 15 34 1 28 15 35 1 29 15 36 1 30 16 17 2 31 16 37 1 32 17 18 1 33 17 38 1 34 18 19 ar 35 18 20 ar 36 19 21 ar 37 19 39 1 38 20 22 ar 39 20 40 1 40 21 23 ar 41 21 41 1 42 22 23 ar 43 22 42 1 44 23 43 1