@MOLECULE [3-acetoxy-4-(acetoxymethyl)-12-hydroxy-6a,12b-dimethyl-11-oxo-9-(3-pyridinyl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2h,11h-benzo[f]pyrano[4,3-b]chromen-4-yl]methyl propionate 82 86 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 7.8706 -3.1722 1.5164 C.3 1 UNL1 -0.4199 2 C 7.0715 -2.0861 0.8085 C.3 1 UNL1 -0.3319 3 C 5.6289 -2.4745 0.7243 C.2 1 UNL1 0.6238 4 O 5.1279 -3.5610 0.8487 O.2 1 UNL1 -0.5135 5 O 4.8758 -1.3652 0.4683 O.3 1 UNL1 -0.4460 6 C 3.4830 -1.6146 0.2603 C.3 1 UNL1 -0.0403 7 C 2.8448 -0.2572 -0.1005 C.3 1 UNL1 -0.0521 8 C 3.5347 0.2776 -1.3787 C.3 1 UNL1 -0.0261 9 O 4.7766 0.8845 -1.0490 O.3 1 UNL1 -0.4333 10 C 5.9279 0.2261 -1.3375 C.2 1 UNL1 0.6522 11 O 5.9648 -0.8049 -1.9584 O.2 1 UNL1 -0.5300 12 C 7.0806 1.0177 -0.8209 C.3 1 UNL1 -0.5253 13 C 3.1011 0.6879 1.0948 C.3 1 UNL1 0.1331 14 C 1.9228 0.6832 2.0654 C.3 1 UNL1 -0.3060 15 C 0.7048 1.3122 1.3924 C.3 1 UNL1 -0.2844 16 C 0.4158 0.7621 -0.0340 C.3 1 UNL1 0.1124 17 C 1.3288 -0.4451 -0.4367 C.3 1 UNL1 -0.1391 18 C 0.7038 -1.7437 0.1126 C.3 1 UNL1 -0.2781 19 C -0.5546 -2.0947 -0.6920 C.3 1 UNL1 -0.3258 20 C -1.3845 -0.8415 -1.0197 C.3 1 UNL1 0.3122 21 C -1.0746 0.2889 -0.0315 C.3 1 UNL1 -0.2356 22 C -2.1123 1.4248 -0.1548 C.3 1 UNL1 0.2120 23 O -1.9542 2.0639 -1.4121 O.3 1 UNL1 -0.5671 24 C -3.4782 0.8277 -0.0625 C.ar 1 UNL1 -0.5273 25 C -3.6897 -0.4924 -0.3880 C.ar 1 UNL1 0.4641 26 O -2.7434 -1.3429 -0.7604 O.3 1 UNL1 -0.3701 27 C -4.9968 -1.0705 -0.2990 C.ar 1 UNL1 -0.4533 28 C -6.0240 -0.2629 0.0869 C.ar 1 UNL1 0.3818 29 O -5.8507 1.0277 0.3947 O.2 1 UNL1 -0.3965 30 C -4.5617 1.6520 0.3423 C.ar 1 UNL1 0.6372 31 O -4.6189 2.8080 0.6541 O.2 1 UNL1 -0.4348 32 C -7.4260 -0.6465 0.2282 C.ar 1 UNL1 -0.1881 33 C -7.9438 -1.7683 -0.4271 C.ar 1 UNL1 -0.0361 34 C -9.2877 -2.0893 -0.2634 C.ar 1 UNL1 -0.2601 35 C -10.0798 -1.2698 0.5526 C.ar 1 UNL1 0.0867 36 N -9.5903 -0.1863 1.1858 N.ar 1 UNL1 -0.3767 37 C -8.2931 0.1243 1.0287 C.ar 1 UNL1 0.1165 38 C -1.3723 -0.4946 -2.4965 C.3 1 UNL1 -0.4926 39 C 0.6334 1.8935 -1.0448 C.3 1 UNL1 -0.4692 40 O 3.1745 2.0265 0.5893 O.3 1 UNL1 -0.4291 41 C 4.3231 2.7192 0.7617 C.2 1 UNL1 0.6545 42 O 5.2403 2.3432 1.4475 O.2 1 UNL1 -0.5434 43 C 4.2326 4.0059 0.0087 C.3 1 UNL1 -0.5151 44 H 8.9407 -2.9373 1.5295 H 1 UNL1 0.1467 45 H 7.7475 -4.1461 1.0201 H 1 UNL1 0.1621 46 H 7.5426 -3.3044 2.5554 H 1 UNL1 0.1524 47 H 7.4519 -1.9272 -0.2293 H 1 UNL1 0.1890 48 H 7.1852 -1.1076 1.3227 H 1 UNL1 0.1761 49 H 3.0806 -2.0373 1.1997 H 1 UNL1 0.1408 50 H 3.3858 -2.3517 -0.5595 H 1 UNL1 0.1489 51 H 2.9746 1.1249 -1.8235 H 1 UNL1 0.1496 52 H 3.6696 -0.5203 -2.1323 H 1 UNL1 0.1501 53 H 7.1927 1.9661 -1.3669 H 1 UNL1 0.1823 54 H 8.0221 0.4598 -0.9147 H 1 UNL1 0.1784 55 H 6.9378 1.2893 0.2440 H 1 UNL1 0.2107 56 H 4.0615 0.4327 1.6048 H 1 UNL1 0.1649 57 H 2.1829 1.2508 2.9802 H 1 UNL1 0.1481 58 H 1.7108 -0.3489 2.3998 H 1 UNL1 0.1475 59 H 0.8615 2.4097 1.3323 H 1 UNL1 0.1548 60 H -0.1738 1.1926 2.0531 H 1 UNL1 0.1353 61 H 1.2687 -0.5265 -1.5559 H 1 UNL1 0.1457 62 H 0.4680 -1.6322 1.1869 H 1 UNL1 0.1474 63 H 1.3867 -2.6104 0.0446 H 1 UNL1 0.1490 64 H -1.1769 -2.8178 -0.1234 H 1 UNL1 0.1641 65 H -0.2790 -2.6267 -1.6219 H 1 UNL1 0.1548 66 H -1.2586 -0.1581 0.9912 H 1 UNL1 0.1645 67 H -1.9386 2.2064 0.6245 H 1 UNL1 0.1377 68 H -2.7215 2.6470 -1.5876 H 1 UNL1 0.3227 69 H -5.1245 -2.1210 -0.5341 H 1 UNL1 0.1986 70 H -7.3047 -2.3814 -1.0655 H 1 UNL1 0.1652 71 H -9.7194 -2.9544 -0.7585 H 1 UNL1 0.1699 72 H -11.1461 -1.4727 0.7145 H 1 UNL1 0.1730 73 H -7.9417 1.0226 1.5615 H 1 UNL1 0.1978 74 H -0.3698 -0.2118 -2.8380 H 1 UNL1 0.1652 75 H -2.0315 0.3613 -2.7164 H 1 UNL1 0.1892 76 H -1.7208 -1.3338 -3.1101 H 1 UNL1 0.1539 77 H 0.0574 2.7919 -0.7831 H 1 UNL1 0.1654 78 H 0.3089 1.6137 -2.0529 H 1 UNL1 0.1544 79 H 1.6838 2.2041 -1.0847 H 1 UNL1 0.1532 80 H 4.4548 3.8390 -1.0577 H 1 UNL1 0.1862 81 H 4.9563 4.7382 0.3960 H 1 UNL1 0.1815 82 H 3.2265 4.4480 0.0646 H 1 UNL1 0.1833 @BOND 1 76 38 1 2 74 38 1 3 75 38 1 4 38 20 1 5 52 8 1 6 78 39 1 7 11 10 2 8 51 8 1 9 65 19 1 10 68 23 1 11 61 17 1 12 23 22 1 13 8 9 1 14 8 7 1 15 53 12 1 16 10 9 1 17 10 12 1 18 79 39 1 19 70 33 1 20 80 43 1 21 39 77 1 22 39 16 1 23 20 26 1 24 20 19 1 25 20 21 1 26 54 12 1 27 12 55 1 28 26 25 1 29 71 34 1 30 19 64 1 31 19 18 1 32 50 6 1 33 69 27 1 34 17 7 1 35 17 16 1 36 17 18 1 37 33 34 ar 38 33 32 ar 39 25 27 ar 40 25 24 ar 41 27 28 ar 42 34 35 ar 43 47 2 1 44 22 24 1 45 22 21 1 46 22 67 1 47 7 6 1 48 7 13 1 49 24 30 ar 50 16 21 1 51 16 15 1 52 21 66 1 53 43 82 1 54 43 81 1 55 43 41 1 56 63 18 1 57 28 32 1 58 28 29 ar 59 18 62 1 60 32 37 ar 61 6 5 1 62 6 49 1 63 30 29 ar 64 30 31 2 65 5 3 1 66 35 72 1 67 35 36 ar 68 40 41 1 69 40 13 1 70 3 2 1 71 3 4 2 72 41 42 2 73 2 48 1 74 2 1 1 75 45 1 1 76 37 36 ar 77 37 73 1 78 13 56 1 79 13 14 1 80 59 15 1 81 15 60 1 82 15 14 1 83 1 44 1 84 1 46 1 85 14 58 1 86 14 57 1