@MOLECULE (1s,2s)-7-hydroxy-1-methyl-9,10-dioxo-2-(3-oxobutyl)-1,2,9,10-tetrahydro-1-anthracenecarbaldehyde 43 45 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.1256 -0.5197 2.4117 O.2 1 UNL1111111111 -0.4158 2 O 1.3771 -2.2196 0.4086 O.2 1 UNL1111111111 -0.4084 3 O 1.9775 3.0228 0.3152 O.2 1 UNL1111111111 -0.4132 4 O -6.0835 -1.2840 -0.0459 O.2 1 UNL1111111111 -0.4565 5 O 6.1973 -1.5763 -0.6420 O.3 1 UNL1111111111 -0.4594 6 C -1.0490 -0.7540 0.0277 C.3 1 UNL1111111111 -0.0350 7 C -2.1440 0.2561 -0.4368 C.3 1 UNL1111111111 -0.1226 8 C 0.3212 -0.1331 0.0692 C.2 1 UNL1111111111 -0.1064 9 C -3.5410 -0.2078 0.0149 C.3 1 UNL1111111111 -0.2751 10 C -1.8800 1.6591 0.0147 C.2 1 UNL1111111111 -0.1177 11 C -1.0809 -1.9570 -0.9223 C.3 1 UNL1111111111 -0.4651 12 C 0.4931 1.2018 0.1465 C.2 1 UNL1111111111 -0.0535 13 C -0.6373 2.1061 0.2410 C.2 1 UNL1111111111 -0.1700 14 C -1.3667 -1.2137 1.4607 C.2 1 UNL1111111111 0.3415 15 C 1.4898 -1.0450 0.1473 C.2 1 UNL1111111111 0.4422 16 C -4.6514 0.4582 -0.8020 C.3 1 UNL1111111111 -0.3858 17 C 1.8447 1.8309 0.1632 C.2 1 UNL1111111111 0.4528 18 C 2.8382 -0.4491 -0.0690 C.ar 1 UNL1111111111 -0.0421 19 C 3.0047 0.9424 -0.0420 C.ar 1 UNL1111111111 -0.2057 20 C -5.9911 -0.1637 -0.4793 C.2 1 UNL1111111111 0.5008 21 C 3.9216 -1.2864 -0.2689 C.ar 1 UNL1111111111 -0.1972 22 C 4.2710 1.5021 -0.2080 C.ar 1 UNL1111111111 -0.0024 23 C 5.1863 -0.6986 -0.4454 C.ar 1 UNL1111111111 0.3119 24 C 5.3795 0.6828 -0.4161 C.ar 1 UNL1111111111 -0.3151 25 C -7.1992 0.6854 -0.7401 C.3 1 UNL1111111111 -0.5569 26 H -2.1159 0.2709 -1.5623 H 1 UNL1111111111 0.1594 27 H -3.6861 0.0056 1.0937 H 1 UNL1111111111 0.1590 28 H -3.6367 -1.3107 -0.0809 H 1 UNL1111111111 0.1655 29 H -2.7494 2.3045 0.1110 H 1 UNL1111111111 0.1487 30 H -0.5314 -2.8208 -0.5180 H 1 UNL1111111111 0.1791 31 H -2.1037 -2.2990 -1.1205 H 1 UNL1111111111 0.1529 32 H -0.6246 -1.7155 -1.8893 H 1 UNL1111111111 0.1558 33 H -0.4228 3.1384 0.5273 H 1 UNL1111111111 0.1810 34 H -1.8251 -2.2018 1.5731 H 1 UNL1111111111 0.1207 35 H -4.6707 1.5497 -0.6221 H 1 UNL1111111111 0.1617 36 H -4.4605 0.3370 -1.8888 H 1 UNL1111111111 0.1680 37 H 3.8129 -2.3728 -0.2805 H 1 UNL1111111111 0.1987 38 H 4.3881 2.5905 -0.1719 H 1 UNL1111111111 0.1755 39 H 6.3659 1.1144 -0.5481 H 1 UNL1111111111 0.1661 40 H -7.1720 1.1564 -1.7294 H 1 UNL1111111111 0.1697 41 H -7.2870 1.4851 0.0088 H 1 UNL1111111111 0.1786 42 H -8.1246 0.0911 -0.6808 H 1 UNL1111111111 0.1822 43 H 7.0742 -1.1308 -0.7479 H 1 UNL1111111111 0.3320 @BOND 1 1 14 2 2 2 15 2 3 3 17 2 4 4 20 2 5 5 23 1 6 5 43 1 7 6 7 1 8 6 8 1 9 6 11 1 10 6 14 1 11 7 9 1 12 7 10 1 13 7 26 1 14 8 12 2 15 8 15 1 16 9 16 1 17 9 27 1 18 9 28 1 19 10 13 2 20 10 29 1 21 11 30 1 22 11 31 1 23 11 32 1 24 12 13 1 25 12 17 1 26 13 33 1 27 14 34 1 28 15 18 1 29 16 20 1 30 16 35 1 31 16 36 1 32 17 19 1 33 18 19 ar 34 18 21 ar 35 19 22 ar 36 20 25 1 37 21 23 ar 38 21 37 1 39 22 24 ar 40 22 38 1 41 23 24 ar 42 24 39 1 43 25 40 1 44 25 41 1 45 25 42 1