@MOLECULE 4,4'-methylenebis(3,5-dihydroxy-2-isobutyryl-6,6-dimethyl-2,4-cyclohexadien-1-one) 65 66 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.7003 -3.1758 -1.0543 O.2 1 UNL11 -0.4991 2 O 0.7263 -3.1322 0.1151 O.2 1 UNL11 -0.4776 3 O -0.8710 1.3655 -1.1961 O.2 1 UNL11 -0.4227 4 O 1.8131 0.8433 -2.1322 O.2 1 UNL11 -0.4645 5 O -4.6592 -0.1602 1.1615 O.2 1 UNL11 -0.4867 6 O 4.1884 -0.4507 1.7251 O.2 1 UNL11 -0.4981 7 O -2.3742 3.0123 -0.1360 O.2 1 UNL11 -0.5691 8 O 3.6580 2.2680 -1.3261 O.2 1 UNL11 -0.5832 9 C -3.3614 -1.7900 0.0766 C.3 1 UNL11 -0.0964 10 C 2.5639 -1.9448 0.9241 C.3 1 UNL11 -0.0623 11 C -0.0419 -1.1325 -1.8923 C.3 1 UNL11 -0.1907 12 C -1.3040 -0.9094 -1.1194 C.2 1 UNL11 -0.2428 13 C 1.1475 -1.0617 -0.9900 C.2 1 UNL11 -0.3503 14 C -2.1037 -1.9207 -0.7158 C.2 1 UNL11 0.3064 15 C 1.4266 -2.0082 -0.0540 C.2 1 UNL11 0.3855 16 C -3.6865 -0.3207 0.4606 C.2 1 UNL11 0.5292 17 C 3.3516 -0.6145 0.8654 C.2 1 UNL11 0.5249 18 C -2.8383 0.7395 -0.0253 C.2 1 UNL11 -0.6043 19 C 3.0791 0.3204 -0.1988 C.2 1 UNL11 -0.6142 20 C -1.6897 0.4450 -0.7636 C.2 1 UNL11 0.5169 21 C 2.0381 0.0680 -1.1013 C.2 1 UNL11 0.5480 22 C -3.2151 -2.5697 1.3864 C.3 1 UNL11 -0.4435 23 C -4.5392 -2.2975 -0.7591 C.3 1 UNL11 -0.4402 24 C 3.5570 -3.0654 0.6011 C.3 1 UNL11 -0.4348 25 C 1.9983 -2.0827 2.3410 C.3 1 UNL11 -0.4313 26 C -3.1538 2.1318 0.2482 C.2 1 UNL11 0.5603 27 C 3.8681 1.5247 -0.3564 C.2 1 UNL11 0.5645 28 C -4.4107 2.5679 0.9673 C.3 1 UNL11 -0.1471 29 C 4.9582 1.9315 0.6114 C.3 1 UNL11 -0.1454 30 C -5.5738 2.4952 -0.0277 C.3 1 UNL11 -0.4329 31 C -4.2423 3.9899 1.5055 C.3 1 UNL11 -0.4368 32 C 5.1507 3.4488 0.5759 C.3 1 UNL11 -0.4390 33 C 6.2419 1.2032 0.1993 C.3 1 UNL11 -0.4331 34 H 0.0363 -0.3661 -2.7075 H 1 UNL11 0.1973 35 H -0.0681 -2.1002 -2.4411 H 1 UNL11 0.1535 36 H -2.3469 -2.2299 1.9676 H 1 UNL11 0.1635 37 H -4.1017 -2.4140 2.0265 H 1 UNL11 0.1863 38 H -3.1203 -3.6480 1.2338 H 1 UNL11 0.1386 39 H -4.6401 -1.7390 -1.6998 H 1 UNL11 0.1624 40 H -4.4551 -3.3591 -1.0080 H 1 UNL11 0.1418 41 H -5.4864 -2.1678 -0.2088 H 1 UNL11 0.1812 42 H 3.0845 -4.0525 0.6778 H 1 UNL11 0.1580 43 H 3.9681 -2.9683 -0.4106 H 1 UNL11 0.1531 44 H 4.4033 -3.0476 1.3042 H 1 UNL11 0.1717 45 H 2.8052 -2.0168 3.0875 H 1 UNL11 0.1744 46 H 1.2798 -1.2867 2.5699 H 1 UNL11 0.1525 47 H 1.4932 -3.0453 2.4817 H 1 UNL11 0.1546 48 H -4.6155 1.8774 1.8281 H 1 UNL11 0.1836 49 H 4.6788 1.6273 1.6547 H 1 UNL11 0.1835 50 H -2.3193 -3.8802 -0.7269 H 1 UNL11 0.3536 51 H -0.0923 -3.2010 -0.4477 H 1 UNL11 0.3626 52 H -1.2203 2.3487 -0.8887 H 1 UNL11 0.4122 53 H 2.5064 1.6831 -2.1227 H 1 UNL11 0.4153 54 H -5.7470 1.4662 -0.3671 H 1 UNL11 0.1539 55 H -6.5047 2.8389 0.4391 H 1 UNL11 0.1512 56 H -5.3946 3.1224 -0.9085 H 1 UNL11 0.1486 57 H -5.1383 4.3211 2.0396 H 1 UNL11 0.1424 58 H -4.0480 4.7049 0.6942 H 1 UNL11 0.1616 59 H -3.3921 4.0581 2.1946 H 1 UNL11 0.1499 60 H 5.4110 3.7953 -0.4337 H 1 UNL11 0.1614 61 H 5.9484 3.7633 1.2559 H 1 UNL11 0.1413 62 H 4.2330 3.9741 0.8649 H 1 UNL11 0.1475 63 H 6.1212 0.1143 0.2739 H 1 UNL11 0.1570 64 H 6.5345 1.4488 -0.8278 H 1 UNL11 0.1473 65 H 7.0736 1.4793 0.8576 H 1 UNL11 0.1486 @BOND 1 1 14 1 2 1 50 1 3 2 15 1 4 2 51 1 5 3 20 1 6 3 52 1 7 4 21 1 8 4 53 1 9 5 16 2 10 6 17 2 11 7 26 2 12 8 27 2 13 9 14 1 14 9 16 1 15 9 22 1 16 9 23 1 17 10 15 1 18 10 17 1 19 10 24 1 20 10 25 1 21 11 12 1 22 11 13 1 23 11 34 1 24 11 35 1 25 12 14 2 26 12 20 1 27 13 15 2 28 13 21 1 29 16 18 1 30 17 19 1 31 18 20 2 32 18 26 1 33 19 21 2 34 19 27 1 35 22 36 1 36 22 37 1 37 22 38 1 38 23 39 1 39 23 40 1 40 23 41 1 41 24 42 1 42 24 43 1 43 24 44 1 44 25 45 1 45 25 46 1 46 25 47 1 47 26 28 1 48 27 29 1 49 28 30 1 50 28 31 1 51 28 48 1 52 29 32 1 53 29 33 1 54 29 49 1 55 30 54 1 56 30 55 1 57 30 56 1 58 31 57 1 59 31 58 1 60 31 59 1 61 32 60 1 62 32 61 1 63 32 62 1 64 33 63 1 65 33 64 1 66 33 65 1