@MOLECULE 4-acetyl-1,5,9-trihydroxy-3,7,11,12-tetramethoxy-5-methyl-5,8a-dihydro-2h-cyclohepta[ghi]perylene-2,8(4h)-dione 40 46 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.1692 1.3820 2.5341 O.3 1 UNL1 -0.3110 2 O -3.9605 -1.2573 -1.4521 O.3 1 UNL1 -0.4136 3 O 1.2462 4.0606 -1.8663 O.2 1 UNL1 -0.4866 4 O 2.6781 3.4488 0.4399 O.2 1 UNL1 -0.3699 5 O -5.5617 0.2315 0.4052 O.2 1 UNL1 -0.2071 6 O 3.1212 2.0193 -1.9008 O.2 1 UNL1 -0.3726 7 O 4.1264 -2.4327 2.0846 O.2 2 UNL2 -0.5305 8 O 6.0479 -2.3016 0.1395 O.2 1 UNL1 -0.1246 9 O -1.3382 -4.3000 0.6182 O.2 1 UNL1 -0.3242 10 O -3.4333 -3.3827 -1.2711 O.3 1 UNL1 -0.2995 11 C -2.7383 1.8211 1.1591 C.3 1 UNL1 -0.0705 12 C -0.3930 1.3060 0.5278 C.2 1 UNL1 0.0395 13 C -3.1354 0.9231 0.0682 C.3 1 UNL1 -0.5165 14 C 0.9926 1.7249 0.2673 C.2 1 UNL1 -0.1286 15 C -0.8284 -0.0143 0.0480 C.ar 1 UNL1 -0.0560 16 C -1.3298 2.1608 1.0916 C.3 1 UNL1 0.0158 17 C -2.1693 -0.1431 -0.2142 C.ar 1 UNL1 0.1065 18 C 0.1987 -1.0443 -0.1509 C.ar 1 UNL1 0.1005 19 C 1.8365 0.8473 -0.3050 C.3 1 UNL1 -0.0368 20 C 1.5472 -0.5764 -0.3233 C.ar 1 UNL1 -0.1067 21 C -3.7077 2.4839 2.1558 C.3 1 UNL1 0.4178 22 C 1.5378 3.1279 0.6134 C.2 1 UNL1 0.5185 23 C -0.7254 3.3848 1.4224 C.2 1 UNL1 -0.0353 24 C -0.0676 -2.4547 -0.1154 C.ar 1 UNL1 -0.1577 25 C 2.7046 -1.4309 -0.4166 C.ar 1 UNL1 0.1967 26 C -2.7531 -1.3306 -0.7485 C.ar 1 UNL1 0.0720 27 C -4.6650 0.7492 -0.1508 C.2 1 UNL1 0.1923 28 C 0.4286 3.7752 1.2259 C.2 1 UNL1 -0.1617 29 C 3.1296 1.2295 -0.9900 C.2 1 UNL1 0.3642 30 C 2.2960 -2.7318 -0.3984 C.ar 1 UNL1 -0.1959 31 C -1.3009 -3.2486 0.0361 C.ar 1 UNL1 0.4729 32 C 1.1114 -3.1298 -0.2632 C.ar 1 UNL1 0.0988 33 C -2.4414 -2.6455 -0.6388 C.ar 1 UNL1 -0.0192 34 C 4.0464 -0.9000 -0.4041 C.2 1 UNL1 -0.4535 35 C 4.3056 0.4622 -0.5671 C.3 1 UNL1 0.0709 36 C -3.8823 1.5478 -1.1423 C.3 1 UNL1 0.5309 37 C -4.3433 -2.5231 -1.7710 C.3 1 UNL1 0.4942 38 C 2.1415 4.2625 -2.5478 C.2 1 UNL1 0.4854 39 C 3.4147 -2.5788 2.9699 C.2 2 UNL2 0.5343 40 C 5.1138 -1.6813 -0.0796 C.1 1 UNL1 0.6668 @BOND 1 38 3 2 2 6 29 2 3 37 2 1 4 37 10 1 5 2 26 1 6 10 33 1 7 36 27 1 8 36 13 1 9 29 35 1 10 29 19 1 11 26 33 ar 12 26 17 ar 13 33 31 ar 14 35 34 1 15 25 34 1 16 25 30 ar 17 25 20 ar 18 34 40 2 19 30 32 ar 20 20 19 1 21 20 18 ar 22 19 14 1 23 32 24 ar 24 17 15 ar 25 17 13 1 26 18 24 ar 27 18 15 ar 28 27 13 1 29 27 5 2 30 24 31 ar 31 40 8 2 32 31 9 2 33 15 12 1 34 13 11 1 35 14 12 2 36 14 22 1 37 4 22 2 38 12 16 1 39 22 28 1 40 16 11 1 41 16 23 1 42 11 21 1 43 11 1 1 44 28 23 2 45 7 39 2 46 21 1 1