@MOLECULE (3e,5r,9r,11e,12ar,13s,15s,15ar,16s,18as)-5,13-dihydroxy-16-(2-hydroxybenzyl)-9,15-dimethyl-14-methylene-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-2h-oxacyclotetradecino[2,3-d]isoindole-2,18(5h)-dione 73 76 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 1.1463 2.0864 -0.1175 C.3 1 UNL1 -0.2082 2 C 0.0402 1.3867 0.7273 C.3 1 UNL1 0.1796 3 C 2.4225 1.2761 0.2587 C.3 1 UNL1 0.1047 4 C 0.6948 2.2618 -1.5631 C.3 1 UNL1 -0.0885 5 C -1.2700 2.1753 0.7412 C.3 1 UNL1 -0.1607 6 C -1.1308 3.4182 -0.1902 C.3 1 UNL1 0.1273 7 C -4.8790 -0.9186 0.7648 C.3 1 UNL1 -0.0664 8 C -1.8549 -3.3956 -1.6882 C.3 1 UNL1 0.1361 9 C 5.0188 -0.2389 -1.2519 C.ar 1 UNL1 -0.1059 10 C 5.4797 -2.1280 0.7616 C.ar 1 UNL1 -0.2423 11 C 6.2687 -0.8367 -1.1232 C.ar 1 UNL1 -0.2191 12 C 6.4949 -1.7838 -0.1218 C.ar 1 UNL1 -0.0911 13 C 2.6171 0.0065 -0.5851 C.3 1 UNL1 -0.3029 14 C 1.7573 3.0184 -2.3656 C.3 1 UNL1 -0.4477 15 C -4.1974 -1.1551 2.1137 C.3 1 UNL1 -0.4516 16 H 2.9069 0.9550 2.3506 H 1 UNL1 0.3233 17 H -2.4395 4.8080 -0.7160 H 1 UNL1 0.3080 18 H 2.5312 -1.2647 1.5662 H 1 UNL1 0.3545 19 H -1.3096 -2.8906 -3.5388 H 1 UNL1 0.3130 20 C 3.9745 -0.5801 -0.3931 C.ar 1 UNL1 -0.1580 21 C 4.2280 -1.5174 0.6173 C.ar 1 UNL1 0.2824 22 O 0.4608 1.3851 3.1883 O.2 1 UNL1 -0.4352 23 O -0.2660 -0.9210 2.1239 O.2 1 UNL1 -0.4543 24 C -4.7931 0.5783 0.3640 C.3 1 UNL1 -0.3044 25 C -4.2992 -1.7708 -0.3830 C.3 1 UNL1 -0.2920 26 C -3.8075 -3.1601 0.0334 C.3 1 UNL1 -0.2648 27 C -3.2079 -3.9191 -1.1552 C.3 1 UNL1 -0.2961 28 O -2.4386 3.9521 -0.2427 O.3 1 UNL1 -0.5266 29 O 3.2805 -1.9204 1.4968 O.3 1 UNL1 -0.4839 30 O -2.1279 -3.1035 -3.0534 O.3 1 UNL1 -0.5625 31 C 0.8265 1.2306 2.0582 C.2 1 UNL1 0.5499 32 C -0.6130 3.0284 -1.5569 C.2 1 UNL1 -0.0352 33 C -0.3851 -0.9743 0.9282 C.2 1 UNL1 0.5989 34 O -0.1842 0.1167 0.1241 O.3 1 UNL1 -0.4332 35 C -2.4292 1.3782 0.2163 C.2 1 UNL1 -0.1654 36 C -3.5699 1.2509 0.8990 C.2 1 UNL1 -0.1121 37 C -0.7221 -2.1720 0.1546 C.2 1 UNL1 -0.3038 38 C -1.3595 -2.1464 -1.0183 C.2 1 UNL1 -0.0647 39 N 2.1546 0.9559 1.6871 N.am 1 UNL1 -0.6649 40 C -1.2680 3.3260 -2.6776 C.2 1 UNL1 -0.3422 41 H 1.3155 3.1152 0.3061 H 1 UNL1 0.1593 42 H 3.3355 1.9151 0.1780 H 1 UNL1 0.1405 43 H 0.5152 1.2590 -2.0298 H 1 UNL1 0.1654 44 H -1.4804 2.5288 1.7843 H 1 UNL1 0.1833 45 H -0.4737 4.1924 0.2730 H 1 UNL1 0.1204 46 H 1.8289 -0.7437 -0.3607 H 1 UNL1 0.1738 47 H 2.4522 0.2514 -1.6570 H 1 UNL1 0.1629 48 H 2.7169 2.4899 -2.3632 H 1 UNL1 0.1473 49 H 1.4533 3.1399 -3.4117 H 1 UNL1 0.1491 50 H 1.9302 4.0223 -1.9608 H 1 UNL1 0.1481 51 H -2.2934 0.9803 -0.7861 H 1 UNL1 0.1517 52 H -0.9251 3.0564 -3.6633 H 1 UNL1 0.1466 53 H -2.2123 3.8492 -2.7014 H 1 UNL1 0.1533 54 H -3.6778 1.6565 1.9050 H 1 UNL1 0.1482 55 H -4.8449 0.6773 -0.7373 H 1 UNL1 0.1452 56 H -5.6943 1.1060 0.7343 H 1 UNL1 0.1435 57 H 4.8509 0.4973 -2.0362 H 1 UNL1 0.1447 58 H -5.9586 -1.1839 0.8760 H 1 UNL1 0.1242 59 H -0.4681 -3.1017 0.6740 H 1 UNL1 0.1911 60 H -5.0688 -1.8800 -1.1722 H 1 UNL1 0.1353 61 H -3.4770 -1.2100 -0.8663 H 1 UNL1 0.1460 62 H 5.6319 -2.8534 1.5565 H 1 UNL1 0.1757 63 H 7.0712 -0.5687 -1.8057 H 1 UNL1 0.1512 64 H -3.0649 -3.0847 0.8512 H 1 UNL1 0.1509 65 H -4.6507 -3.7408 0.4556 H 1 UNL1 0.1379 66 H -4.5559 -0.4438 2.8666 H 1 UNL1 0.1471 67 H -4.3994 -2.1584 2.5016 H 1 UNL1 0.1382 68 H -3.1077 -1.0331 2.0484 H 1 UNL1 0.1613 69 H -1.5818 -1.2128 -1.5480 H 1 UNL1 0.1747 70 H -3.9322 -3.9010 -2.0031 H 1 UNL1 0.1725 71 H -3.1004 -4.9894 -0.8929 H 1 UNL1 0.1410 72 H -1.0862 -4.2038 -1.6606 H 1 UNL1 0.1263 73 H 7.4749 -2.2505 -0.0311 H 1 UNL1 0.1492 @BOND 1 52 40 1 2 19 30 1 3 49 14 1 4 30 8 1 5 53 40 1 6 40 32 2 7 14 48 1 8 14 50 1 9 14 4 1 10 57 9 1 11 43 4 1 12 70 27 1 13 63 11 1 14 8 72 1 15 8 27 1 16 8 38 1 17 47 13 1 18 4 32 1 19 4 1 1 20 32 6 1 21 69 38 1 22 9 11 ar 23 9 20 ar 24 60 25 1 25 27 71 1 26 27 26 1 27 11 12 ar 28 38 37 2 29 61 25 1 30 51 35 1 31 55 24 1 32 17 28 1 33 13 20 1 34 13 46 1 35 13 3 1 36 20 21 ar 37 25 26 1 38 25 7 1 39 28 6 1 40 6 45 1 41 6 5 1 42 12 73 1 43 12 10 ar 44 1 3 1 45 1 41 1 46 1 2 1 47 26 65 1 48 26 64 1 49 34 2 1 50 34 33 1 51 37 59 1 52 37 33 1 53 42 3 1 54 35 5 1 55 35 36 2 56 3 39 1 57 24 56 1 58 24 7 1 59 24 36 1 60 21 10 ar 61 21 29 1 62 2 5 1 63 2 31 1 64 5 44 1 65 10 62 1 66 7 58 1 67 7 15 1 68 36 54 1 69 33 23 2 70 29 18 1 71 39 31 am 72 39 16 1 73 68 15 1 74 31 22 2 75 15 67 1 76 15 66 1