@MOLECULE (1s,2r)-1-acetyl-2,5,12-trihydroxy-4,8,9,13-tetramethoxy-2-methyl-2,3-dihydro-1h-cyclohepta[ghi]perylene-6,11-dione 66 71 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.2604 3.6788 1.1202 O.3 1 UNL1111111111 -0.5983 2 O 0.5947 4.3486 -0.7132 O.3 1 UNL1111111111 -0.3167 3 O -4.3649 -0.7481 0.8850 O.3 1 UNL1111111111 -0.3211 4 O 3.1069 3.7613 0.0676 O.3 1 UNL1111111111 -0.4447 5 O -2.8451 1.0824 -2.0833 O.2 1 UNL1111111111 -0.4542 6 O -3.6469 -3.1650 -0.1528 O.3 1 UNL1111111111 -0.3742 7 O 3.6921 -2.4478 1.2779 O.2 1 UNL1111111111 -0.2861 8 O 2.6672 -3.4189 -0.9604 O.2 1 UNL1111111111 -0.3423 9 O 4.8675 1.9243 0.4056 O.2 1 UNL1111111111 -0.5421 10 O -1.7329 -4.8896 -0.4691 O.2 1 UNL1111111111 -0.4110 11 C -2.5621 2.4922 0.3877 C.3 1 UNL1111111111 0.3769 12 C -1.4795 2.5029 -0.7136 C.3 1 UNL1111111111 -0.2794 13 C -2.4142 1.3215 1.3817 C.3 1 UNL1111111111 -0.3549 14 C 0.2182 0.8027 0.1675 C.ar 1 UNL1111111111 -0.0684 15 C -0.1189 2.1444 -0.1921 C.ar 1 UNL1111111111 0.0424 16 C -0.7690 -0.2334 0.2752 C.ar 1 UNL1111111111 -0.0566 17 C -2.1016 0.0329 0.7092 C.ar 1 UNL1111111111 0.0697 18 C 1.5665 0.4451 0.3223 C.ar 1 UNL1111111111 0.0685 19 C -0.3900 -1.5537 -0.0172 C.ar 1 UNL1111111111 0.0400 20 C 1.9334 -0.9500 0.3569 C.ar 1 UNL1111111111 -0.0762 21 C 1.0136 -1.8714 -0.0868 C.ar 1 UNL1111111111 -0.0332 22 C -3.9843 2.5906 -0.1509 C.3 1 UNL1111111111 -0.5122 23 C 0.8691 3.1029 -0.2186 C.ar 1 UNL1111111111 0.0714 24 C 2.5777 1.4374 0.3044 C.ar 1 UNL1111111111 -0.3663 25 C -1.3663 -2.5764 -0.1542 C.ar 1 UNL1111111111 -0.2839 26 C -3.0399 -0.9620 0.5875 C.ar 1 UNL1111111111 0.0098 27 C -1.7871 1.6332 -1.9305 C.2 1 UNL1111111111 0.5066 28 C 2.2286 2.7658 0.0792 C.ar 1 UNL1111111111 0.3537 29 C -2.6943 -2.2485 0.0698 C.ar 1 UNL1111111111 0.3134 30 C 3.2974 -1.2493 0.7989 C.2 1 UNL1111111111 0.3249 31 C 1.3516 -3.1724 -0.6587 C.2 1 UNL1111111111 0.2311 32 C 3.9896 1.0685 0.4731 C.2 1 UNL1111111111 0.5473 33 C -0.9672 -3.9553 -0.4950 C.2 1 UNL1111111111 0.4888 34 C -0.6949 1.5253 -2.9503 C.3 1 UNL1111111111 -0.5462 35 C 4.2813 -0.3133 0.7866 C.2 1 UNL1111111111 -0.4346 36 C 0.4475 -4.1423 -0.8720 C.2 1 UNL1111111111 -0.3309 37 C 0.4954 5.3333 0.3185 C.3 1 UNL1111111111 -0.1977 38 C -4.7052 -1.1905 2.2002 C.3 1 UNL1111111111 -0.2137 39 C 2.7426 -3.2563 1.9685 C.3 1 UNL1111111111 -0.2050 40 C 3.1170 -2.7257 -2.1228 C.3 1 UNL1111111111 -0.1908 41 H -1.4600 3.5741 -1.0944 H 1 UNL1111111111 0.2172 42 H -3.3370 1.2421 1.9923 H 1 UNL1111111111 0.1637 43 H -1.6014 1.5774 2.1037 H 1 UNL1111111111 0.1840 44 H -4.6925 2.9191 0.6155 H 1 UNL1111111111 0.1456 45 H -4.3388 1.6094 -0.5153 H 1 UNL1111111111 0.1986 46 H -4.0572 3.2851 -0.9953 H 1 UNL1111111111 0.1643 47 H -3.0018 3.9484 1.6895 H 1 UNL1111111111 0.3225 48 H -0.0025 0.7100 -2.6850 H 1 UNL1111111111 0.1881 49 H -0.1000 2.4436 -3.0394 H 1 UNL1111111111 0.1782 50 H -1.1021 1.2842 -3.9435 H 1 UNL1111111111 0.1816 51 H 5.3028 -0.5489 1.0819 H 1 UNL1111111111 0.2037 52 H 0.7034 -5.0962 -1.3294 H 1 UNL1111111111 0.1943 53 H 4.0693 3.3865 0.1983 H 1 UNL1111111111 0.3915 54 H -4.5591 -2.7597 -0.0440 H 1 UNL1111111111 0.3328 55 H 0.2651 6.2430 -0.2474 H 1 UNL1111111111 0.1446 56 H -0.3211 5.0813 1.0057 H 1 UNL1111111111 0.1474 57 H 1.4493 5.4343 0.8460 H 1 UNL1111111111 0.1419 58 H -4.1359 -0.6422 2.9562 H 1 UNL1111111111 0.1333 59 H -4.5447 -2.2681 2.3067 H 1 UNL1111111111 0.1366 60 H -5.7722 -0.9437 2.2666 H 1 UNL1111111111 0.1525 61 H 1.8279 -2.7312 2.2501 H 1 UNL1111111111 0.1416 62 H 3.2945 -3.5689 2.8664 H 1 UNL1111111111 0.1499 63 H 2.5275 -4.1248 1.3330 H 1 UNL1111111111 0.1562 64 H 2.5687 -3.0711 -3.0044 H 1 UNL1111111111 0.1338 65 H 3.0313 -1.6417 -1.9998 H 1 UNL1111111111 0.1364 66 H 4.1728 -3.0235 -2.1775 H 1 UNL1111111111 0.1563 @BOND 1 1 11 1 2 1 47 1 3 2 23 1 4 2 37 1 5 3 26 1 6 3 38 1 7 4 28 1 8 4 53 1 9 5 27 2 10 6 29 1 11 6 54 1 12 7 30 1 13 7 39 1 14 8 31 1 15 8 40 1 16 9 32 2 17 10 33 2 18 11 12 1 19 11 13 1 20 11 22 1 21 12 15 1 22 12 27 1 23 12 41 1 24 13 17 1 25 13 42 1 26 13 43 1 27 14 15 ar 28 14 16 ar 29 14 18 ar 30 15 23 ar 31 16 17 ar 32 16 19 ar 33 17 26 ar 34 18 20 ar 35 18 24 ar 36 19 21 ar 37 19 25 ar 38 20 21 ar 39 20 30 1 40 21 31 1 41 22 44 1 42 22 45 1 43 22 46 1 44 23 28 ar 45 24 28 ar 46 24 32 1 47 25 29 ar 48 25 33 1 49 26 29 ar 50 27 34 1 51 30 35 2 52 31 36 2 53 32 35 1 54 33 36 1 55 34 48 1 56 34 49 1 57 34 50 1 58 35 51 1 59 36 52 1 60 37 55 1 61 37 56 1 62 37 57 1 63 38 58 1 64 38 59 1 65 38 60 1 66 39 61 1 67 39 62 1 68 39 63 1 69 40 64 1 70 40 65 1 71 40 66 1