@MOLECULE (4ar,6ar,12as,12bs)-4a,12a-dihydroxy-4,4,6a,12b-tetramethyl-9-(3,4,5-trimethoxyphenyl)-4a,6,6a,12,12a,12b-hexahydro-4h,11h-benzo[f]pyrano[4,3-b]chromene-1,11(5h)-dione 72 76 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 4.1729 -0.5378 0.0029 C.3 1 UNL1 -0.1722 2 C 2.6407 -0.2832 0.0581 C.3 1 UNL1 0.2517 3 C 4.9535 0.8222 0.1122 C.3 1 UNL1 0.2995 4 C 2.2019 0.6236 1.2472 C.3 1 UNL1 0.2535 5 C -4.6448 -1.1172 0.2861 C.ar 1 UNL1 -0.2820 6 C -4.2073 1.1798 -0.3919 C.ar 1 UNL1 -0.3033 7 C 4.5901 -1.5705 1.0450 C.3 1 UNL1 -0.4497 8 C 2.1822 -0.0527 2.6139 C.3 1 UNL1 -0.4954 9 C 7.1145 1.9833 -0.4987 C.3 1 UNL1 -0.4402 10 C 7.1549 0.3633 1.3945 C.3 1 UNL1 -0.4640 11 C -8.4776 1.4006 0.4940 C.3 1 UNL1 -0.2141 12 C -6.5695 -3.1154 0.7304 C.3 1 UNL1 -0.2162 13 C -5.2886 3.6360 -1.2251 C.3 1 UNL1 -0.2104 14 H 2.2982 -0.0699 -1.8891 H 1 UNL1 0.3616 15 H 3.7040 1.5192 -1.2652 H 1 UNL1 0.3573 16 C -3.7582 -0.0822 -0.0007 C.ar 1 UNL1 0.0264 17 C -6.5012 0.3794 -0.2071 C.ar 1 UNL1 0.0115 18 C -6.0192 -0.8814 0.1889 C.ar 1 UNL1 0.2163 19 C -5.5809 1.4042 -0.4929 C.ar 1 UNL1 0.2124 20 O -0.6012 -3.2075 -0.5889 O.2 1 UNL1 -0.4377 21 O 3.7744 -1.4407 -2.1916 O.2 1 UNL1 -0.4769 22 C 1.7647 -1.5486 0.0357 C.3 1 UNL1 -0.2741 23 C 4.4912 1.6431 1.3281 C.3 1 UNL1 -0.3244 24 C 2.9918 1.9333 1.2570 C.3 1 UNL1 -0.3065 25 O 2.2817 0.4986 -1.0758 O.3 1 UNL1 -0.5808 26 O 4.6724 1.5691 -1.0523 O.3 1 UNL1 -0.5936 27 O -7.8416 0.5204 -0.4318 O.3 1 UNL1 -0.2733 28 O -6.1620 2.5772 -0.8508 O.3 1 UNL1 -0.2849 29 O -6.9935 -1.7835 0.4584 O.3 1 UNL1 -0.2627 30 C -0.6664 -2.0577 -0.2536 C.ar 1 UNL1 0.6200 31 C -2.3130 -0.3276 0.1083 C.ar 1 UNL1 0.3501 32 C 4.5842 -1.0989 -1.3633 C.2 1 UNL1 0.5094 33 O 0.8401 1.0608 1.0090 O.3 1 UNL1 -0.3186 34 O -2.0132 -1.5847 -0.2417 O.2 1 UNL1 -0.3743 35 C -1.3766 0.5662 0.5274 C.ar 1 UNL1 -0.4312 36 C 6.9016 -0.4131 -0.9445 C.2 1 UNL1 -0.0521 37 C 6.0355 -1.2060 -1.5833 C.2 1 UNL1 -0.3186 38 C 6.5137 0.6661 0.0333 C.3 1 UNL1 0.0413 39 C 0.3406 -1.1273 0.1409 C.ar 1 UNL1 -0.4109 40 C -0.0132 0.1339 0.5513 C.ar 1 UNL1 0.4107 41 H -1.6220 1.5752 0.8390 H 1 UNL1 0.1979 42 H 1.9354 -2.1199 -0.9083 H 1 UNL1 0.1907 43 H 2.0313 -2.2534 0.8476 H 1 UNL1 0.1576 44 H 7.9766 -0.4916 -1.1220 H 1 UNL1 0.1475 45 H 6.3412 -1.9478 -2.3199 H 1 UNL1 0.1807 46 H 4.7449 1.1241 2.2687 H 1 UNL1 0.1454 47 H 5.0461 2.6033 1.3451 H 1 UNL1 0.1607 48 H -4.2599 -2.0949 0.5714 H 1 UNL1 0.1885 49 H -3.4924 1.9628 -0.6264 H 1 UNL1 0.1778 50 H 2.7495 2.5214 0.3435 H 1 UNL1 0.1798 51 H 2.6755 2.5722 2.1025 H 1 UNL1 0.1532 52 H 3.9958 -2.4922 0.9678 H 1 UNL1 0.1648 53 H 5.6381 -1.8787 0.9222 H 1 UNL1 0.1606 54 H 4.4790 -1.1917 2.0669 H 1 UNL1 0.1542 55 H 3.1883 -0.2391 3.0016 H 1 UNL1 0.1561 56 H 1.6660 0.5862 3.3454 H 1 UNL1 0.1653 57 H 1.6409 -1.0076 2.5972 H 1 UNL1 0.1702 58 H 6.7849 2.8419 0.0956 H 1 UNL1 0.1519 59 H 8.2070 1.9637 -0.4919 H 1 UNL1 0.1376 60 H 6.7854 2.1796 -1.5314 H 1 UNL1 0.1768 61 H 6.7305 -0.5203 1.8779 H 1 UNL1 0.1498 62 H 8.2332 0.1877 1.2916 H 1 UNL1 0.1502 63 H 7.0410 1.2067 2.0857 H 1 UNL1 0.1528 64 H -9.5272 1.3460 0.1792 H 1 UNL1 0.1494 65 H -8.3613 1.0371 1.5181 H 1 UNL1 0.1288 66 H -8.0960 2.4210 0.3915 H 1 UNL1 0.1372 67 H -7.5290 -3.6413 0.8291 H 1 UNL1 0.1532 68 H -5.9942 -3.5282 -0.1053 H 1 UNL1 0.1454 69 H -6.0077 -3.1625 1.6678 H 1 UNL1 0.1347 70 H -4.6804 3.3559 -2.0915 H 1 UNL1 0.1423 71 H -5.9976 4.4290 -1.4990 H 1 UNL1 0.1510 72 H -4.6685 3.9504 -0.3807 H 1 UNL1 0.1342 @BOND 1 45 37 1 2 21 32 2 3 70 13 1 4 14 25 1 5 37 32 1 6 37 36 2 7 60 9 1 8 71 13 1 9 32 1 1 10 15 26 1 11 13 28 1 12 13 72 1 13 44 36 1 14 25 2 1 15 26 3 1 16 36 38 1 17 42 22 1 18 28 19 1 19 49 6 1 20 20 30 2 21 9 59 1 22 9 38 1 23 9 58 1 24 19 6 ar 25 19 17 ar 26 27 17 1 27 27 11 1 28 6 16 ar 29 30 34 ar 30 30 39 ar 31 34 31 ar 32 17 18 ar 33 68 12 1 34 16 31 1 35 16 5 ar 36 1 2 1 37 1 3 1 38 1 7 1 39 38 3 1 40 38 10 1 41 22 2 1 42 22 39 1 43 22 43 1 44 2 4 1 45 31 35 ar 46 3 23 1 47 39 40 ar 48 64 11 1 49 18 5 ar 50 18 29 1 51 5 48 1 52 50 24 1 53 66 11 1 54 29 12 1 55 11 65 1 56 35 40 ar 57 35 41 1 58 40 33 1 59 12 67 1 60 12 69 1 61 53 7 1 62 52 7 1 63 33 4 1 64 7 54 1 65 4 24 1 66 4 8 1 67 24 23 1 68 24 51 1 69 62 10 1 70 23 47 1 71 23 46 1 72 10 61 1 73 10 63 1 74 57 8 1 75 8 55 1 76 8 56 1