@MOLECULE (1s,3s)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-alpha-l-lyxo-hexopyranoside 63 67 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 1.5591 0.6703 0.3117 C.3 1 UNL1 0.1498 2 C 1.6064 3.1139 -0.3372 C.3 1 UNL1 0.2059 3 C 2.6127 -1.4576 0.6103 C.3 1 UNL1 0.3263 4 C 3.6720 -2.6948 -1.3236 C.3 1 UNL1 0.0204 5 C 4.7899 -0.7807 -0.1028 C.3 1 UNL1 0.0943 6 C 5.0261 -2.1309 -0.8049 C.3 1 UNL1 0.0285 7 C -5.1097 -2.6693 0.8136 C.ar 1 UNL1 -0.0951 8 C -6.3307 -0.5099 -0.4720 C.ar 1 UNL1 -0.0945 9 C -6.4823 -2.6899 0.5589 C.ar 1 UNL1 -0.1353 10 C -7.0908 -1.6137 -0.0810 C.ar 1 UNL1 -0.1359 11 C 2.9102 3.9248 1.7408 C.3 1 UNL1 -0.5432 12 C 6.0518 -0.2398 0.5553 C.3 1 UNL1 -0.4659 13 H -0.7211 -2.0756 1.4493 H 1 UNL1 0.3835 14 H -3.4332 2.7878 -1.5080 H 1 UNL1 0.3810 15 H 1.9415 4.8469 -1.2590 H 1 UNL1 0.3233 16 H 4.3421 -4.0279 -2.7612 H 1 UNL1 0.2469 17 H 4.3093 -4.6566 -1.2514 H 1 UNL1 0.2601 18 H 5.1542 -3.0122 0.9525 H 1 UNL1 0.3289 19 C -0.7367 -0.3603 0.5174 C.ar 1 UNL1 0.3603 20 C -1.9466 1.7761 -0.7528 C.ar 1 UNL1 0.2972 21 O -2.3869 -2.4976 1.2967 O.2 1 UNL1 -0.5099 22 O -4.7165 1.6289 -1.1922 O.2 1 UNL1 -0.5009 23 O 0.5439 3.7635 1.7047 O.2 1 UNL1 -0.4314 24 C 0.1994 3.0396 -0.9386 C.3 1 UNL1 -0.3310 25 C 2.3228 1.7700 -0.4401 C.3 1 UNL1 -0.3472 26 C 2.6662 -2.7738 -0.1628 C.3 1 UNL1 -0.3502 27 O -0.0847 -1.3183 1.1877 O.3 1 UNL1 -0.4761 28 O -2.4251 2.8637 -1.3763 O.3 1 UNL1 -0.4693 29 O 2.4127 4.0083 -1.0792 O.3 1 UNL1 -0.5516 30 O 5.6009 -3.0669 0.0771 O.3 1 UNL1 -0.5482 31 C 1.5868 3.6237 1.1221 C.2 1 UNL1 0.4324 32 O 1.9988 -0.5466 -0.2744 O.3 1 UNL1 -0.4341 33 C -2.8986 -1.5529 0.7105 C.2 1 UNL1 0.5055 34 C -4.1671 0.6882 -0.6386 C.2 1 UNL1 0.4994 35 C 0.0712 0.7380 0.0839 C.ar 1 UNL1 -0.1049 36 C -0.5314 1.8130 -0.5155 C.ar 1 UNL1 0.0303 37 C -2.1070 -0.4021 0.2821 C.ar 1 UNL1 -0.2838 38 C -2.7259 0.6947 -0.3752 C.ar 1 UNL1 -0.2437 39 C -4.3501 -1.5677 0.4261 C.ar 1 UNL1 -0.1075 40 C -4.9610 -0.4875 -0.2192 C.ar 1 UNL1 -0.1072 41 O 3.8838 -0.9828 0.9763 O.3 1 UNL1 -0.4717 42 N 3.8263 -4.0447 -1.8960 N.3 1 UNL1 -0.6365 43 H 1.7816 0.7001 1.4058 H 1 UNL1 0.1474 44 H -0.3922 3.9441 -0.6557 H 1 UNL1 0.1907 45 H 0.2636 3.0719 -2.0517 H 1 UNL1 0.1845 46 H 3.3628 1.8457 -0.0683 H 1 UNL1 0.1693 47 H 2.4226 1.4878 -1.5120 H 1 UNL1 0.1854 48 H 2.0947 -1.5174 1.5934 H 1 UNL1 0.1480 49 H 2.9219 -3.6033 0.5225 H 1 UNL1 0.1602 50 H 1.6591 -3.0195 -0.5644 H 1 UNL1 0.1857 51 H 2.8152 4.6446 2.5673 H 1 UNL1 0.1787 52 H 3.3632 3.0143 2.1623 H 1 UNL1 0.1821 53 H 3.6242 4.3362 1.0110 H 1 UNL1 0.1849 54 H 3.2652 -2.0162 -2.1175 H 1 UNL1 0.1534 55 H 4.3430 -0.0440 -0.8078 H 1 UNL1 0.1357 56 H -4.6259 -3.5118 1.3167 H 1 UNL1 0.1782 57 H -6.8025 0.3390 -0.9756 H 1 UNL1 0.1783 58 H 5.7796 -2.0510 -1.6156 H 1 UNL1 0.1436 59 H 6.5525 -1.0112 1.1581 H 1 UNL1 0.1675 60 H 6.7717 0.1135 -0.1902 H 1 UNL1 0.1528 61 H 5.8165 0.5931 1.2303 H 1 UNL1 0.1590 62 H -7.0761 -3.5516 0.8632 H 1 UNL1 0.1577 63 H -8.1625 -1.6298 -0.2782 H 1 UNL1 0.1578 @BOND 1 16 42 1 2 54 4 1 3 45 24 1 4 42 4 1 5 42 17 1 6 58 6 1 7 47 25 1 8 14 28 1 9 28 20 1 10 4 6 1 11 4 26 1 12 15 29 1 13 22 34 2 14 29 2 1 15 57 8 1 16 24 44 1 17 24 36 1 18 24 2 1 19 55 5 1 20 6 5 1 21 6 30 1 22 20 36 ar 23 20 38 ar 24 34 38 1 25 34 40 1 26 50 26 1 27 36 35 ar 28 8 40 ar 29 8 10 ar 30 25 2 1 31 25 46 1 32 25 1 1 33 38 37 ar 34 2 31 1 35 63 10 1 36 32 1 1 37 32 3 1 38 40 39 ar 39 60 12 1 40 26 49 1 41 26 3 1 42 5 12 1 43 5 41 1 44 10 9 ar 45 30 18 1 46 35 1 1 47 35 19 ar 48 37 19 ar 49 37 33 1 50 1 43 1 51 39 33 1 52 39 7 ar 53 19 27 1 54 12 59 1 55 12 61 1 56 9 7 ar 57 9 62 1 58 3 41 1 59 3 48 1 60 33 21 2 61 7 56 1 62 53 11 1 63 31 23 2 64 31 11 1 65 27 13 1 66 11 52 1 67 11 51 1