@MOLECULE (1,2,3a,4,8,14,15,17-octahydro-16-hydroxy-11,12-dimethoxy-1,3a-dimethyl-2,8,14,15,17-pentaoxo(1)benzopyran(2',3':6,7)naphth(2,1-g)oxazolo(3,2-b)isoquinolin-1-yl)methyl 2-methylpropanoate 77 83 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -6.4760 1.8041 -0.3267 O.3 1 UNL1 -0.4464 2 O -5.3693 -2.6540 -0.4282 O.3 1 UNL1 -0.3849 3 O -7.9185 0.5758 -1.4955 O.2 1 UNL1 -0.3968 4 O -2.8513 -0.8185 -0.8851 O.2 1 UNL1 -0.5334 5 O -0.4529 0.0009 -0.3149 O.3 1 UNL1 -0.4177 6 O 5.3377 1.4419 0.5051 O.2 1 UNL1 -0.1740 7 O -4.6234 -4.6548 -0.0889 O.2 1 UNL1 -0.4294 8 O 1.4003 0.6461 -1.8784 O.2 1 UNL1 -0.3188 9 O 4.3561 3.9203 0.5796 O.2 1 UNL1 -0.3527 10 O 3.0482 -1.6253 -0.9736 O.2 1 UNL1 -0.4066 11 O 7.9206 -3.3296 -0.3926 O.3 1 UNL1 -0.3186 12 O 9.1899 -1.0706 0.7305 O.3 1 UNL1 -0.2848 13 N -4.6419 0.4025 -0.2278 N.am 1 UNL1 -0.5894 14 C -5.1932 1.6691 0.3009 C.3 1 UNL1 0.4799 15 C -5.6896 -0.3687 -0.9216 C.3 1 UNL1 0.1784 16 C -4.3746 2.9043 -0.0997 C.3 1 UNL1 -0.3680 17 C -6.8428 0.6595 -0.9899 C.2 1 UNL1 0.5416 18 C -2.9122 2.6745 0.1002 C.ar 1 UNL1 0.1726 19 C -3.2819 0.2491 -0.4726 C.2 1 UNL1 0.6569 20 C -5.4232 1.5785 1.8063 C.3 1 UNL1 -0.4925 21 C -6.1826 -1.5571 -0.0565 C.3 1 UNL1 -0.0656 22 C -2.3995 1.3770 -0.1596 C.ar 1 UNL1 -0.4243 23 C -5.3029 -0.8055 -2.3232 C.3 1 UNL1 -0.4670 24 C -2.0771 3.6906 0.4844 C.ar 1 UNL1 -0.3210 25 C -1.0201 1.1837 -0.1549 C.ar 1 UNL1 0.4384 26 C -0.1090 2.2706 0.0955 C.ar 1 UNL1 -0.1497 27 C -0.6656 3.5000 0.5226 C.ar 1 UNL1 0.1443 28 C 1.2859 2.1597 -0.0656 C.ar 1 UNL1 0.0166 29 C 0.2062 4.5369 0.9457 C.ar 1 UNL1 -0.2176 30 C 2.1173 3.1632 0.4032 C.ar 1 UNL1 -0.2019 31 C 1.5683 4.3584 0.9208 C.ar 1 UNL1 -0.0396 32 C -5.3334 -3.7871 0.3431 C.2 1 UNL1 0.5725 33 C 1.9097 1.0473 -0.8686 C.2 1 UNL1 0.4676 34 C -6.1384 -3.8616 1.6228 C.3 1 UNL1 -0.1701 35 C 3.5858 3.0177 0.3866 C.2 1 UNL1 0.4301 36 C 3.2588 0.6661 -0.4157 C.ar 1 UNL1 -0.3633 37 C 4.0561 1.6104 0.1269 C.ar 1 UNL1 0.1697 38 C 3.7404 -0.7095 -0.6084 C.ar 1 UNL1 0.5104 39 C -5.3012 -3.2439 2.7471 C.3 1 UNL1 -0.4427 40 C -6.4479 -5.3291 1.9256 C.3 1 UNL1 -0.4384 41 C 5.1705 -0.8601 -0.2847 C.ar 1 UNL1 -0.2554 42 C 5.8906 0.2003 0.2527 C.ar 1 UNL1 0.2262 43 C 5.8351 -2.0740 -0.5115 C.ar 1 UNL1 -0.1303 44 C 7.2411 0.1061 0.5873 C.ar 1 UNL1 -0.3090 45 C 7.1758 -2.2030 -0.1970 C.ar 1 UNL1 0.0655 46 C 7.8926 -1.1076 0.3633 C.ar 1 UNL1 0.2471 47 C 7.2285 -4.4797 -0.8640 C.3 1 UNL1 -0.2006 48 C 9.9864 -2.2373 0.5500 C.3 1 UNL1 -0.1949 49 H -1.1402 -0.7153 -0.6063 H 1 UNL1 0.3983 50 H -4.7453 3.7897 0.4590 H 1 UNL1 0.1823 51 H -4.5621 3.1550 -1.1726 H 1 UNL1 0.1968 52 H -5.9819 0.6776 2.0857 H 1 UNL1 0.1648 53 H -6.0045 2.4390 2.1639 H 1 UNL1 0.1706 54 H -4.4688 1.5568 2.3516 H 1 UNL1 0.1758 55 H -6.0827 -1.3288 1.0194 H 1 UNL1 0.1403 56 H -7.2321 -1.8129 -0.3053 H 1 UNL1 0.1456 57 H -4.9375 0.0211 -2.9423 H 1 UNL1 0.1605 58 H -6.1471 -1.2778 -2.8437 H 1 UNL1 0.1735 59 H -4.4910 -1.5633 -2.2905 H 1 UNL1 0.2184 60 H -2.4693 4.6710 0.7409 H 1 UNL1 0.1693 61 H -0.2219 5.4761 1.2902 H 1 UNL1 0.1633 62 H 2.2482 5.1408 1.2740 H 1 UNL1 0.1732 63 H -7.1042 -3.3107 1.5195 H 1 UNL1 0.1526 64 H -4.4048 -3.8470 2.9545 H 1 UNL1 0.1645 65 H -5.8779 -3.1830 3.6772 H 1 UNL1 0.1513 66 H -4.9486 -2.2358 2.4987 H 1 UNL1 0.1508 67 H -5.5295 -5.9361 1.9485 H 1 UNL1 0.1690 68 H -7.1022 -5.7729 1.1663 H 1 UNL1 0.1522 69 H -6.9376 -5.4434 2.8978 H 1 UNL1 0.1472 70 H 5.2604 -2.9008 -0.9393 H 1 UNL1 0.1902 71 H 7.7797 0.9549 1.0080 H 1 UNL1 0.2021 72 H 8.0286 -5.2326 -0.8926 H 1 UNL1 0.1495 73 H 6.8294 -4.3106 -1.8711 H 1 UNL1 0.1409 74 H 6.4425 -4.7837 -0.1638 H 1 UNL1 0.1405 75 H 10.9596 -1.9072 0.9392 H 1 UNL1 0.1511 76 H 10.0615 -2.4976 -0.5117 H 1 UNL1 0.1469 77 H 9.5963 -3.0726 1.1420 H 1 UNL1 0.1462 @BOND 1 57 23 1 2 58 23 1 3 23 59 1 4 23 15 1 5 8 33 2 6 73 47 1 7 3 17 2 8 51 16 1 9 17 15 1 10 17 1 1 11 10 38 2 12 70 43 1 13 15 13 1 14 15 21 1 15 72 47 1 16 4 19 2 17 33 36 1 18 33 28 1 19 47 11 1 20 47 74 1 21 38 36 ar 22 38 41 ar 23 49 5 1 24 76 48 1 25 43 41 ar 26 43 45 ar 27 19 13 am 28 19 22 1 29 2 21 1 30 2 32 1 31 36 37 ar 32 11 45 1 33 1 14 1 34 5 25 1 35 56 21 1 36 41 42 ar 37 13 14 1 38 45 46 ar 39 22 25 ar 40 22 18 ar 41 25 26 ar 42 16 18 1 43 16 14 1 44 16 50 1 45 7 32 2 46 28 26 ar 47 28 30 ar 48 21 55 1 49 26 27 ar 50 18 24 ar 51 37 35 1 52 37 6 ar 53 42 6 ar 54 42 44 ar 55 14 20 1 56 32 34 1 57 46 44 ar 58 46 12 1 59 35 30 1 60 35 9 2 61 30 31 ar 62 24 27 ar 63 24 60 1 64 27 29 ar 65 48 12 1 66 48 75 1 67 48 77 1 68 44 71 1 69 31 29 ar 70 31 62 1 71 29 61 1 72 68 40 1 73 63 34 1 74 34 40 1 75 34 39 1 76 20 52 1 77 20 53 1 78 20 54 1 79 40 67 1 80 40 69 1 81 66 39 1 82 39 64 1 83 39 65 1