@MOLECULE 4,9-dihydroxy-6,7-bis[(2r)-2-hydroxypropyl]-1,5,8,12-tetramethoxy-3,10-perylenedione 70 74 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.7485 2.5879 2.6446 C.3 1 UNL1 0.2024 2 C -1.3432 2.1847 -2.8445 C.3 1 UNL1 0.2013 3 C 0.7438 2.9874 1.1490 C.3 1 UNL1 -0.3572 4 C -1.1588 2.7124 -1.3997 C.3 1 UNL1 -0.3509 5 C 2.0307 -5.1245 0.8580 C.3 1 UNL1 -0.2039 6 C -1.3195 -5.3101 -0.8925 C.3 1 UNL1 -0.2066 7 C 4.4129 3.2011 1.2296 C.3 1 UNL1 -0.2039 8 C -4.8474 2.4676 -1.1109 C.3 1 UNL1 -0.2036 9 C 0.1760 3.7199 3.4968 C.3 1 UNL1 -0.5092 10 C -0.9435 3.2505 -3.8624 C.3 1 UNL1 -0.5103 11 H -5.0069 -0.4967 1.2861 H 1 UNL1 0.3909 12 H 5.1704 0.1700 -1.0481 H 1 UNL1 0.3928 13 H -0.8866 1.4732 2.4404 H 1 UNL1 0.3196 14 H 0.3468 1.1368 -2.7950 H 1 UNL1 0.3206 15 C -3.4708 0.3907 0.4894 C.ar 1 UNL1 0.3389 16 C 3.4814 0.8691 -0.3770 C.ar 1 UNL1 0.3459 17 C 1.3989 1.9020 0.3590 C.ar 1 UNL1 0.0350 18 C -1.6061 1.6470 -0.4536 C.ar 1 UNL1 0.0267 19 C 2.7488 2.0016 0.1073 C.ar 1 UNL1 0.0507 20 C -2.9343 1.5842 -0.0974 C.ar 1 UNL1 0.0509 21 O 4.7918 -1.4690 -1.1635 O.2 1 UNL1 -0.5565 22 O -4.3898 -2.0926 1.4120 O.2 1 UNL1 -0.5528 23 O -4.7221 0.4374 0.9383 O.3 1 UNL1 -0.4525 24 O 4.7455 1.0677 -0.7363 O.3 1 UNL1 -0.4556 25 O 0.0014 1.4144 2.8459 O.3 1 UNL1 -0.5493 26 O -0.5901 1.0154 -3.0461 O.3 1 UNL1 -0.5501 27 O 1.2403 -3.9432 0.7363 O.2 1 UNL1 -0.2775 28 O -0.6533 -4.0587 -0.7291 O.2 1 UNL1 -0.2721 29 O 3.3504 3.2165 0.2771 O.3 1 UNL1 -0.3030 30 O -3.7058 2.6952 -0.2851 O.3 1 UNL1 -0.3019 31 C 1.7864 -2.9037 0.0785 C.2 1 UNL1 0.3384 32 C -1.2947 -3.1184 -0.0103 C.2 1 UNL1 0.3376 33 C 3.6551 -1.5705 -0.7104 C.2 1 UNL1 0.5637 34 C -3.2843 -2.0464 0.8825 C.2 1 UNL1 0.5645 35 C 2.8661 -0.3743 -0.4002 C.ar 1 UNL1 -0.3658 36 C -2.6926 -0.7570 0.5033 C.ar 1 UNL1 -0.3603 37 C -0.5190 -1.8683 0.0634 C.ar 1 UNL1 -0.0220 38 C 0.8514 -1.7694 -0.0140 C.ar 1 UNL1 -0.0304 39 C 3.0686 -2.8435 -0.3540 C.2 1 UNL1 -0.4876 40 C -2.5497 -3.2315 0.4891 C.2 1 UNL1 -0.4883 41 C 0.7030 0.6917 0.0148 C.ar 1 UNL1 -0.0258 42 C -0.7221 0.5797 -0.0706 C.ar 1 UNL1 -0.0201 43 C 1.4745 -0.4785 -0.1282 C.ar 1 UNL1 0.0642 44 C -1.3142 -0.6765 0.1596 C.ar 1 UNL1 0.0627 45 H 3.7362 -3.6971 -0.3893 H 1 UNL1 0.1923 46 H -3.0895 -4.1681 0.5629 H 1 UNL1 0.1923 47 H -0.2976 3.1941 0.8407 H 1 UNL1 0.1663 48 H 1.2760 3.9549 1.0237 H 1 UNL1 0.1760 49 H -0.1009 3.0050 -1.2586 H 1 UNL1 0.1663 50 H -1.7460 3.6465 -1.2719 H 1 UNL1 0.1736 51 H 1.7639 2.2806 2.9850 H 1 UNL1 0.1394 52 H -2.3824 1.8217 -3.0158 H 1 UNL1 0.1386 53 H 2.9641 -4.9163 1.3921 H 1 UNL1 0.1451 54 H 1.3832 -5.7773 1.4572 H 1 UNL1 0.1529 55 H 2.2214 -5.5635 -0.1258 H 1 UNL1 0.1399 56 H -2.2914 -5.1731 -1.3797 H 1 UNL1 0.1461 57 H -0.6360 -5.8590 -1.5525 H 1 UNL1 0.1529 58 H -1.4235 -5.8184 0.0710 H 1 UNL1 0.1395 59 H 4.0406 2.9194 2.2173 H 1 UNL1 0.1270 60 H 5.2228 2.5369 0.9081 H 1 UNL1 0.1518 61 H 4.7499 4.2443 1.2184 H 1 UNL1 0.1453 62 H -5.2840 3.4709 -1.1843 H 1 UNL1 0.1446 63 H -4.5469 2.0989 -2.0949 H 1 UNL1 0.1272 64 H -5.5523 1.7809 -0.6282 H 1 UNL1 0.1532 65 H -0.8106 4.0397 3.1451 H 1 UNL1 0.1545 66 H 0.0509 3.3873 4.5362 H 1 UNL1 0.1651 67 H 0.8312 4.5949 3.5030 H 1 UNL1 0.1498 68 H 0.0539 3.6583 -3.6690 H 1 UNL1 0.1551 69 H -0.9267 2.8208 -4.8732 H 1 UNL1 0.1649 70 H -1.6496 4.0858 -3.8702 H 1 UNL1 0.1507 @BOND 1 69 10 1 2 70 10 1 3 10 68 1 4 10 2 1 5 26 2 1 6 26 14 1 7 52 2 1 8 2 4 1 9 63 8 1 10 57 6 1 11 4 50 1 12 4 49 1 13 4 18 1 14 56 6 1 15 62 8 1 16 21 33 2 17 8 64 1 18 8 30 1 19 12 24 1 20 6 28 1 21 6 58 1 22 24 16 1 23 28 32 1 24 33 35 1 25 33 39 1 26 18 20 ar 27 18 42 ar 28 35 16 ar 29 35 43 ar 30 45 39 1 31 16 19 ar 32 39 31 2 33 30 20 1 34 43 38 ar 35 43 41 ar 36 55 5 1 37 20 15 ar 38 42 41 ar 39 42 44 ar 40 38 37 ar 41 38 31 1 42 32 37 1 43 32 40 2 44 41 17 ar 45 37 44 ar 46 31 27 1 47 19 29 1 48 19 17 ar 49 44 36 ar 50 29 7 1 51 17 3 1 52 40 46 1 53 40 34 1 54 15 36 ar 55 15 23 1 56 36 34 1 57 27 5 1 58 47 3 1 59 5 53 1 60 5 54 1 61 34 22 2 62 60 7 1 63 23 11 1 64 48 3 1 65 3 1 1 66 61 7 1 67 7 59 1 68 13 25 1 69 1 25 1 70 1 51 1 71 1 9 1 72 65 9 1 73 9 67 1 74 9 66 1