@MOLECULE methyl (1r,2r,4s)-2-ethyl-2,4,5,7,10,12-hexahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate 49 52 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.6814 -0.7745 1.9486 O.3 1 UNL111111 -0.5696 2 O -2.4128 -3.1483 0.3905 O.3 1 UNL111111 -0.5817 3 O -3.0976 0.9848 -1.8669 O.3 1 UNL111111 -0.3846 4 O -0.3221 2.2828 0.9309 O.3 1 UNL111111 -0.4022 5 O 0.1969 -2.9940 -0.2417 O.3 1 UNL111111 -0.4122 6 O -3.2141 2.9141 -0.7066 O.2 1 UNL111111 -0.4974 7 O 2.1133 2.5605 0.5844 O.2 1 UNL111111 -0.3069 8 O 2.6512 -2.6202 -0.5617 O.2 1 UNL111111 -0.3133 9 O 4.6194 2.8429 0.6029 O.3 1 UNL111111 -0.3140 10 O 5.1964 -2.3631 -0.5627 O.3 1 UNL111111 -0.2749 11 C -3.9094 -0.1844 0.6873 C.3 1 UNL111111 0.3421 12 C -2.7645 0.8531 0.4684 C.3 1 UNL111111 -0.2716 13 C -3.8369 -1.3341 -0.3151 C.3 1 UNL111111 -0.3669 14 C -2.4561 -1.9831 -0.4171 C.3 1 UNL111111 0.1831 15 C -1.4240 0.2180 0.2991 C.ar 1 UNL111111 -0.0470 16 C -1.2874 -1.1057 -0.0542 C.ar 1 UNL111111 -0.1467 17 C -5.2623 0.5521 0.6449 C.3 1 UNL111111 -0.3410 18 C -0.2586 1.0035 0.5052 C.ar 1 UNL111111 0.2299 19 C 0.0153 -1.6722 -0.1018 C.ar 1 UNL111111 0.2952 20 C -3.0499 1.7222 -0.7378 C.2 1 UNL111111 0.5809 21 C 1.0203 0.4861 0.2990 C.ar 1 UNL111111 -0.1505 22 C 1.1616 -0.8792 -0.0058 C.ar 1 UNL111111 -0.1955 23 C -6.4276 -0.3565 1.0152 C.3 1 UNL111111 -0.4267 24 C 2.2001 1.3771 0.3884 C.2 1 UNL111111 0.4325 25 C 2.4918 -1.4718 -0.2389 C.2 1 UNL111111 0.4374 26 C 3.5470 0.7426 0.1997 C.ar 1 UNL111111 -0.1629 27 C 3.6706 -0.5608 -0.0885 C.ar 1 UNL111111 -0.1549 28 C 4.7188 1.6762 0.3418 C.ar 1 UNL111111 0.4312 29 C 5.0244 -1.2048 -0.3011 C.ar 1 UNL111111 0.4007 30 C -3.3023 1.7082 -3.0803 C.3 1 UNL111111 -0.1734 31 C 6.0740 1.0581 0.1328 C.ar 1 UNL111111 -0.2653 32 C 6.0561 -0.2147 -0.1429 C.ar 1 UNL111111 -0.0536 33 H -2.7549 1.5095 1.3869 H 1 UNL111111 0.1907 34 H -4.1659 -0.9783 -1.3128 H 1 UNL111111 0.1748 35 H -4.5712 -2.1215 -0.0260 H 1 UNL111111 0.1863 36 H -2.3134 -2.4098 -1.4454 H 1 UNL111111 0.1557 37 H -5.4299 0.9773 -0.3673 H 1 UNL111111 0.1601 38 H -5.2397 1.4295 1.3223 H 1 UNL111111 0.1544 39 H -4.1093 -0.2784 2.6738 H 1 UNL111111 0.3300 40 H -6.6110 -1.1210 0.2506 H 1 UNL111111 0.1484 41 H -6.2537 -0.8811 1.9628 H 1 UNL111111 0.1529 42 H -7.3547 0.2201 1.1213 H 1 UNL111111 0.1506 43 H -2.5706 -2.9095 1.3350 H 1 UNL111111 0.3518 44 H -1.2342 2.6681 0.8805 H 1 UNL111111 0.3252 45 H -0.6666 -3.4935 -0.1112 H 1 UNL111111 0.3559 46 H -3.3135 0.9119 -3.8363 H 1 UNL111111 0.1516 47 H -2.4740 2.4038 -3.2518 H 1 UNL111111 0.1496 48 H -4.2550 2.2458 -3.0470 H 1 UNL111111 0.1415 49 H 6.9406 1.7035 0.2260 H 1 UNL111111 0.2003 @BOND 1 47 30 1 2 46 30 1 3 48 30 1 4 30 3 1 5 3 20 1 6 6 20 2 7 9 28 1 8 49 31 1 9 20 12 1 10 31 28 ar 11 31 32 ar 12 28 26 ar 13 7 24 2 14 32 29 ar 15 26 24 1 16 26 27 ar 17 24 21 1 18 4 18 1 19 4 44 1 20 29 27 ar 21 29 10 1 22 34 13 1 23 27 25 1 24 37 17 1 25 21 18 ar 26 21 22 ar 27 18 15 ar 28 25 22 1 29 25 8 2 30 22 19 ar 31 12 15 1 32 12 33 1 33 12 11 1 34 15 16 ar 35 19 16 ar 36 19 5 1 37 36 14 1 38 16 14 1 39 13 14 1 40 13 11 1 41 13 35 1 42 17 38 1 43 17 11 1 44 17 23 1 45 5 45 1 46 14 2 1 47 11 1 1 48 40 23 1 49 42 23 1 50 23 41 1 51 2 43 1 52 1 39 1