@MOLECULE 1-[3,10-dihydroxy-12-(2-hydroxypropyl)-2,6,7,11-tetramethoxy-4,9-dioxo-4,9-dihydro-1-perylenyl]-2-propanyl benzoate 48 54 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.4538 -4.2196 -0.4243 O.3 1 UNL1 -0.3705 2 O 2.3775 1.7861 -0.7025 O.2 1 UNL1 -0.0593 3 O -5.9684 0.7650 2.1479 O.2 1 UNL1 -0.4686 4 O -6.4635 2.1602 -0.1868 O.2 2 UNL2 -0.4865 5 O -1.6777 -4.8203 -0.5667 O.3 1 UNL1 -0.3282 6 O 1.0951 4.2243 -0.5023 O.2 1 UNL1 -0.3689 7 O 3.6013 -2.9592 -0.3794 O.2 1 UNL1 -0.3879 8 O 2.0854 -1.0722 5.1328 O.3 1 UNL1 -0.1693 9 O -4.4273 -4.1777 -0.7636 O.2 1 UNL1 -0.3313 10 O -1.4739 5.3193 -0.6144 O.2 1 UNL1 -0.4020 11 O 5.9668 -2.3444 -0.8258 O.2 1 UNL1 -0.0448 12 C -0.9256 -0.7788 -0.1667 C.ar 1 UNL1 0.0654 13 C -0.6231 0.5781 0.1046 C.3 1 UNL1 -0.1113 14 C -2.2737 -1.1434 -0.4015 C.ar 1 UNL1 -0.0642 15 C -1.4560 1.6333 -0.2611 C.2 1 UNL1 0.1817 16 C -3.2375 -0.0460 -0.5402 C.2 1 UNL1 0.0676 17 C -2.8554 1.2611 -0.5295 C.2 1 UNL1 0.0536 18 C 0.1347 -1.7574 -0.2560 C.ar 1 UNL1 -0.0631 19 C 0.6516 0.9293 0.7431 C.3 1 UNL1 -0.3921 20 C -2.6705 -2.5311 -0.5190 C.ar 1 UNL1 -0.1003 21 C -0.9576 2.9746 -0.3839 C.2 1 UNL1 -0.5048 22 C 1.5169 -1.4721 -0.3409 C.2 1 UNL1 -0.0432 23 C 1.0454 0.4130 1.8980 C.3 1 UNL1 0.4934 24 C -0.2844 -3.0587 -0.3584 C.ar 1 UNL1 0.1428 25 C 1.2752 1.9095 -0.0754 C.3 1 UNL1 0.3504 26 C -1.6608 -3.4378 -0.4650 C.ar 1 UNL1 0.0966 27 C -4.5015 -0.6352 -0.7298 C.2 1 UNL1 0.0018 28 C -3.5735 2.4536 -0.7314 C.2 1 UNL1 -0.1434 29 C 0.4270 3.2423 -0.3712 C.2 1 UNL1 0.4989 30 C -4.1226 -3.0246 -0.7135 C.2 1 UNL1 0.5128 31 C -1.8196 4.1715 -0.5934 C.2 1 UNL1 0.5471 32 C 2.8128 -2.0738 -0.3984 C.2 1 UNL1 0.4202 33 C 1.7663 -0.6021 4.1305 C.1 1 UNL1 0.6303 34 C -4.8610 -1.8107 -0.8021 C.2 1 UNL1 -0.1793 35 C -3.1403 3.6101 -0.7651 C.2 1 UNL1 -0.0910 36 C 2.5940 -0.6380 -0.4672 C.2 1 UNL1 -0.1861 37 C 1.4154 -0.0793 2.9960 C.1 1 UNL1 -0.5815 38 C -0.4077 -5.2723 -0.5410 C.3 1 UNL1 0.5051 39 C 3.1873 0.6196 -0.5280 C.2 1 UNL1 -0.0407 40 C -6.7012 1.6298 2.2857 C.2 1 UNL1 0.4658 41 C -5.8180 2.0579 -1.1266 C.2 2 UNL2 0.4798 42 C 5.7658 -1.2287 -0.6727 C.1 1 UNL1 0.5433 43 C 5.7160 0.1102 -0.5102 C.ar 1 UNL1 -0.2968 44 C 6.9356 0.8099 -0.4040 C.ar 1 UNL1 -0.0430 45 C 4.4984 0.9994 -0.4948 C.ar 1 UNL1 0.2247 46 C 7.1130 2.0516 -0.3264 C.ar 1 UNL1 0.0033 47 C 4.9028 2.3522 -0.4220 C.ar 1 UNL1 -0.1404 48 C 6.0339 2.8938 -0.3461 C.ar 1 UNL1 0.1141 @BOND 1 41 4 2 2 11 42 2 3 34 27 2 4 34 30 1 5 35 28 2 6 35 31 1 7 9 30 2 8 28 17 1 9 27 16 1 10 30 20 1 11 2 39 1 12 2 25 1 13 42 43 2 14 10 31 2 15 31 21 1 16 5 38 1 17 5 26 1 18 38 1 1 19 16 17 2 20 16 14 1 21 17 15 1 22 39 45 2 23 39 36 1 24 20 26 ar 25 20 14 ar 26 43 45 ar 27 43 44 ar 28 6 29 2 29 45 47 ar 30 36 32 1 31 36 22 2 32 26 24 ar 33 1 24 1 34 47 48 ar 35 44 46 ar 36 14 12 ar 37 32 7 2 38 32 22 1 39 21 29 1 40 21 15 2 41 29 25 1 42 24 18 ar 43 48 46 ar 44 22 18 1 45 15 13 1 46 18 12 ar 47 12 13 1 48 25 19 1 49 13 19 1 50 19 23 1 51 23 37 1 52 3 40 2 53 37 33 3 54 33 8 1