@MOLECULE (1s,3s)-3-acetyl-3,5,10,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-4-o-[(3s)-3-hydroxy-1-{[(2s)-1-oxo-2-propanyl]oxy}butyl]-alpha-l-lyxo-hexopyranoside 47 52 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.2778 -1.1018 -0.9491 O.3 1 UNL1 -0.0603 2 O 2.4728 -1.8171 -0.8564 O.2 1 UNL1 -0.1146 3 O 5.3448 0.2826 0.1750 O.2 1 UNL1 -0.2262 4 O 0.7528 3.5226 -0.6436 O.2 1 UNL1 -0.3039 5 O -2.1794 -2.0691 -0.9045 O.2 1 UNL1 -0.3007 6 O -4.0927 2.5629 0.7588 O.2 1 UNL1 -0.3151 7 O -2.6743 5.9923 1.0078 O.3 1 UNL1 -0.2187 8 O 7.3802 -0.2035 0.8070 O.2 1 UNL1 -0.1578 9 O -4.8594 -2.6980 -1.6278 O.2 1 UNL1 -0.2736 10 O -6.5814 1.7002 -0.0429 O.2 1 UNL1 -0.3045 11 O 8.5727 -4.7287 1.1474 O.3 1 UNL1 -0.3123 12 O -6.4807 -4.2308 0.0533 O.2 1 UNL1 -0.2504 13 O 7.4431 2.3375 -1.4275 O.3 2 UNL2 -0.1436 14 N 3.5371 2.2912 -0.2794 N.2 1 UNL1 -0.1981 15 C -0.3692 0.1296 -0.8040 C.2 1 UNL1 0.0462 16 C 0.0636 2.5473 -0.5130 C.2 1 UNL1 0.4135 17 C 0.5429 1.1714 -0.6620 C.3 1 UNL1 -0.1058 18 C 3.1798 1.0613 -0.3858 C.ar 1 UNL1 0.1365 19 C 1.6071 -0.7814 -0.8262 C.ar 1 UNL1 0.2924 20 C 4.0920 -0.0511 -0.2381 C.ar 1 UNL1 -0.0023 21 C -1.4101 2.6524 -0.1751 C.2 1 UNL1 0.1041 22 C -1.7725 0.2409 -0.6314 C.2 1 UNL1 -0.0629 23 C 1.8351 0.5820 -0.6480 C.ar 1 UNL1 -0.1905 24 C -2.2587 1.4709 -0.2737 C.2 1 UNL1 -0.1017 25 C 3.7373 -1.4025 -0.4452 C.ar 1 UNL1 0.0530 26 C -2.6350 -0.9709 -0.7281 C.2 1 UNL1 0.4269 27 C -2.2947 4.9584 0.6384 C.1 1 UNL1 0.5123 28 C -3.6762 1.6131 0.1491 C.2 1 UNL1 0.4330 29 C -4.0921 -0.7356 -0.5371 C.2 1 UNL1 -0.1533 30 C 4.7044 -2.3054 -0.2061 C.ar 1 UNL1 0.0249 31 C -4.5652 0.4511 -0.1382 C.2 1 UNL1 -0.1547 32 C 6.2699 -0.7060 0.4231 C.ar 1 UNL1 0.3534 33 C -1.8574 3.8172 0.2323 C.1 1 UNL1 -0.3834 34 C -5.0341 -1.8737 -0.7732 C.2 1 UNL1 0.4153 35 C -6.0209 0.6527 0.1132 C.2 1 UNL1 0.4527 36 C 6.0087 -2.1088 0.2517 C.ar 1 UNL1 0.0414 37 C -6.2252 -1.8478 0.1070 C.3 1 UNL1 -0.1539 38 C -6.7073 -0.5865 0.5552 C.2 1 UNL1 -0.2121 39 C 7.7764 -3.9254 0.8472 C.1 1 UNL1 0.4935 40 C -6.8560 -3.1607 0.4589 C.2 1 UNL1 0.3910 41 C -7.7890 -0.5838 1.3860 C.2 1 UNL1 0.1949 42 C 7.2977 1.6747 0.9353 C.1 2 UNL2 -0.7352 43 C 6.9203 -3.0382 0.5426 C.1 1 UNL1 -0.4939 44 C -7.9735 -2.9043 1.3566 C.2 1 UNL1 -0.0211 45 C -8.3540 -1.7594 1.7337 C.2 1 UNL1 -0.0882 46 C 7.2034 1.6065 2.2355 C.3 2 UNL2 0.5981 47 C 7.3661 2.0409 -0.3213 C.1 2 UNL2 0.6557 @BOND 1 9 34 2 2 13 47 1 3 1 19 1 4 1 15 1 5 5 26 2 6 2 19 ar 7 2 25 ar 8 19 23 ar 9 15 17 1 10 15 22 2 11 34 29 1 12 34 37 1 13 26 22 1 14 26 29 1 15 17 23 1 16 17 16 1 17 23 18 ar 18 4 16 2 19 22 24 1 20 29 31 2 21 16 21 1 22 25 20 ar 23 25 30 ar 24 18 14 2 25 18 20 ar 26 47 42 3 27 24 21 2 28 24 28 1 29 20 3 ar 30 30 36 ar 31 21 33 1 32 31 35 1 33 31 28 1 34 10 35 2 35 12 40 2 36 37 40 1 37 37 38 1 38 35 38 1 39 28 6 2 40 3 32 ar 41 33 27 3 42 36 32 ar 43 36 43 1 44 32 8 2 45 40 44 1 46 43 39 3 47 38 41 2 48 27 7 1 49 39 11 1 50 42 46 1 51 44 45 2 52 41 45 1