@MOLECULE (2r)-1-{3,10-dihydroxy-12-[(2r)-2-hydroxypropyl]-2,6,7,11-tetramethoxy-4,9-dioxo-4,9-dihydro-1-perylenyl}-2-propanyl benzoate 82 87 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.5327 -3.4819 0.7078 O.3 1 UNL1 -0.2883 2 O 1.0855 3.5904 1.9172 O.3 1 UNL1 -0.3005 3 O -5.3840 -0.2647 -0.1617 O.2 1 UNL1 -0.2745 4 O -4.5277 0.5630 -2.3423 O.2 1 UNL1 -0.2857 5 O -0.9759 -4.8067 0.6763 O.3 1 UNL1 -0.4774 6 O -0.2859 4.8132 -0.1369 O.3 1 UNL1 -0.4603 7 O 3.6613 -0.5712 -1.0425 O.3 1 UNL1 -0.4640 8 O -0.0578 -0.1009 4.6275 O.3 1 UNL1 -0.5662 9 O -3.4928 -4.5946 0.2282 O.2 1 UNL1 -0.5457 10 O -2.3632 4.7227 -1.6437 O.2 1 UNL1 -0.5532 11 O 4.7472 -2.2990 -1.9907 O.2 1 UNL1 -0.5036 12 C -0.7365 -0.6778 0.4234 C.ar 1 UNL1 -0.0001 13 C -0.7413 0.7571 0.4883 C.ar 1 UNL1 -0.0581 14 C -1.9700 -1.3122 0.1952 C.ar 1 UNL1 0.0170 15 C -1.6926 1.4366 -0.2918 C.ar 1 UNL1 0.0667 16 C -3.0877 -0.5375 -0.2658 C.ar 1 UNL1 -0.0168 17 C -2.8558 0.7304 -0.7518 C.ar 1 UNL1 -0.0462 18 C 0.4456 -1.4724 0.4687 C.ar 1 UNL1 -0.0309 19 C 0.1179 1.5279 1.3343 C.ar 1 UNL1 0.0387 20 C -2.0823 -2.7220 0.3070 C.ar 1 UNL1 -0.3258 21 C -1.5550 2.8267 -0.5335 C.ar 1 UNL1 -0.3653 22 C 1.8036 -0.8826 0.2873 C.3 1 UNL1 -0.3138 23 C 0.6791 0.9474 2.5886 C.3 1 UNL1 -0.3531 24 C 0.3418 -2.8496 0.5732 C.ar 1 UNL1 0.1098 25 C 0.2760 2.8730 1.0808 C.ar 1 UNL1 0.0514 26 C -0.9433 -3.4819 0.5334 C.ar 1 UNL1 0.3147 27 C -4.4010 -1.1842 -0.1827 C.2 1 UNL1 0.3274 28 C -3.7013 1.4285 -1.7224 C.2 1 UNL1 0.3284 29 C -0.5274 3.5271 0.0914 C.ar 1 UNL1 0.3572 30 C -3.3937 -3.3729 0.1566 C.2 1 UNL1 0.5531 31 C -2.4993 3.5233 -1.4124 C.2 1 UNL1 0.5588 32 C 2.3841 -1.2305 -1.1026 C.3 1 UNL1 0.1839 33 C -0.4572 0.8365 3.6405 C.3 1 UNL1 0.2019 34 C -4.5525 -2.5202 -0.0234 C.2 1 UNL1 -0.4801 35 C -3.5587 2.7413 -2.0205 C.2 1 UNL1 -0.4766 36 C 1.6164 -0.5892 -2.2468 C.3 1 UNL1 -0.4840 37 C -0.6680 2.1388 4.3995 C.3 1 UNL1 -0.4761 38 C 1.5739 -4.8889 0.4939 C.3 1 UNL1 -0.1928 39 C 2.1445 4.2620 1.2333 C.3 1 UNL1 -0.2031 40 C -6.7141 -0.7410 0.0325 C.3 1 UNL1 -0.2064 41 C -5.3257 1.0722 -3.4078 C.3 1 UNL1 -0.2032 42 C 4.7730 -1.2252 -1.4450 C.2 1 UNL1 0.6145 43 C 5.9636 -0.4217 -1.1003 C.ar 1 UNL1 -0.1426 44 C 7.1568 -0.6587 -1.7844 C.ar 1 UNL1 -0.0826 45 C 5.8986 0.5412 -0.0911 C.ar 1 UNL1 -0.0792 46 C 8.2942 0.0737 -1.4504 C.ar 1 UNL1 -0.1727 47 C 7.0406 1.2655 0.2413 C.ar 1 UNL1 -0.1792 48 C 8.2360 1.0296 -0.4360 C.ar 1 UNL1 -0.1048 49 H -1.9484 -5.1540 0.5604 H 1 UNL1 0.3958 50 H -0.9984 5.1971 -0.7942 H 1 UNL1 0.3956 51 H 0.0022 -0.9982 4.2495 H 1 UNL1 0.3129 52 H 2.5043 -1.2536 1.0684 H 1 UNL1 0.1714 53 H 1.8135 0.2241 0.3819 H 1 UNL1 0.1754 54 H 1.5047 1.5678 2.9970 H 1 UNL1 0.1801 55 H 1.1243 -0.0561 2.4512 H 1 UNL1 0.1682 56 H 2.5181 -2.3256 -1.2382 H 1 UNL1 0.1530 57 H -1.3986 0.4696 3.1720 H 1 UNL1 0.1211 58 H -5.5151 -3.0190 0.0121 H 1 UNL1 0.1945 59 H -4.1847 3.2701 -2.7317 H 1 UNL1 0.1940 60 H 1.6494 0.5070 -2.1877 H 1 UNL1 0.1649 61 H 0.5613 -0.8895 -2.2361 H 1 UNL1 0.1635 62 H 2.0390 -0.8737 -3.2178 H 1 UNL1 0.1582 63 H 0.1697 2.3323 5.0840 H 1 UNL1 0.1645 64 H -1.5766 2.1017 5.0116 H 1 UNL1 0.1554 65 H -0.7439 2.9937 3.7161 H 1 UNL1 0.1626 66 H 2.6559 -5.0779 0.4648 H 1 UNL1 0.1498 67 H 1.1070 -5.1712 -0.4548 H 1 UNL1 0.1440 68 H 1.1073 -5.4147 1.3365 H 1 UNL1 0.1500 69 H 2.7942 4.5730 2.0593 H 1 UNL1 0.1437 70 H 1.7566 5.1382 0.6988 H 1 UNL1 0.1514 71 H 2.6731 3.5895 0.5535 H 1 UNL1 0.1330 72 H -7.2909 0.1933 0.0527 H 1 UNL1 0.1563 73 H -6.8023 -1.2696 0.9875 H 1 UNL1 0.1461 74 H -7.0264 -1.3724 -0.8047 H 1 UNL1 0.1409 75 H -5.8388 0.1676 -3.7614 H 1 UNL1 0.1549 76 H -4.6951 1.4904 -4.2006 H 1 UNL1 0.1454 77 H -6.0444 1.8091 -3.0363 H 1 UNL1 0.1410 78 H 7.1928 -1.4168 -2.5716 H 1 UNL1 0.1712 79 H 4.9590 0.7220 0.4353 H 1 UNL1 0.1693 80 H 9.2299 -0.1040 -1.9788 H 1 UNL1 0.1570 81 H 6.9972 2.0147 1.0295 H 1 UNL1 0.1550 82 H 9.1295 1.5947 -0.1720 H 1 UNL1 0.1495 @BOND 1 76 41 1 2 75 41 1 3 41 77 1 4 41 4 1 5 62 36 1 6 59 35 1 7 78 44 1 8 4 28 1 9 36 61 1 10 36 60 1 11 36 32 1 12 35 28 2 13 35 31 1 14 11 42 2 15 80 46 1 16 44 46 ar 17 44 43 ar 18 28 17 1 19 10 31 2 20 46 48 ar 21 42 43 1 22 42 7 1 23 31 21 1 24 56 32 1 25 32 7 1 26 32 22 1 27 43 45 ar 28 74 40 1 29 50 6 1 30 17 15 ar 31 17 16 ar 32 21 15 ar 33 21 29 ar 34 67 38 1 35 48 82 1 36 48 47 ar 37 15 13 ar 38 16 27 1 39 16 14 ar 40 27 3 1 41 27 34 2 42 3 40 1 43 6 29 1 44 45 47 ar 45 45 79 1 46 34 58 1 47 34 30 1 48 40 72 1 49 40 73 1 50 29 25 ar 51 30 9 2 52 30 20 1 53 14 20 ar 54 14 12 ar 55 47 81 1 56 22 53 1 57 22 18 1 58 22 52 1 59 20 26 ar 60 12 18 ar 61 12 13 ar 62 66 38 1 63 18 24 ar 64 13 19 ar 65 38 1 1 66 38 68 1 67 26 24 ar 68 26 5 1 69 71 39 1 70 49 5 1 71 24 1 1 72 70 39 1 73 25 19 ar 74 25 2 1 75 39 2 1 76 39 69 1 77 19 23 1 78 55 23 1 79 23 54 1 80 23 33 1 81 57 33 1 82 33 37 1 83 33 8 1 84 65 37 1 85 51 8 1 86 37 64 1 87 37 63 1