@MOLECULE 3-glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-acetamido-2,3,6-trideoxyhexopyranoside 73 77 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.5489 -0.1871 -1.2419 O.3 1 UNL1 -0.4623 2 O 2.8796 -1.7333 -2.0211 O.3 1 UNL1 -0.4167 3 O 1.6521 4.5580 -1.5372 O.3 1 UNL1 -0.5551 4 O 5.7814 -1.0770 -1.0125 O.3 1 UNL1 -0.5673 5 O -0.4579 -1.3757 -0.1033 O.3 1 UNL1 -0.4322 6 O -3.0748 3.3883 -0.5801 O.3 1 UNL1 -0.4289 7 O 2.9295 4.1775 0.7918 O.2 1 UNL1 -0.4371 8 O 0.4017 2.4372 2.1015 O.3 1 UNL1 -0.5162 9 O -2.5903 -2.0780 1.4020 O.2 1 UNL1 -0.3836 10 O -5.1225 2.1516 0.5339 O.2 1 UNL1 -0.3729 11 O 6.3581 -1.8132 3.0573 O.2 1 UNL1 -0.5406 12 O -4.5306 -3.7467 0.1238 O.3 1 UNL1 -0.3481 13 N 4.9763 -2.4573 1.4589 N.am 1 UNL1 -0.6422 14 C 1.2283 0.9792 -0.4918 C.3 1 UNL1 0.1497 15 C 1.2401 3.4963 -0.6977 C.3 1 UNL1 0.2337 16 C 1.8416 2.1855 -1.2077 C.3 1 UNL1 -0.3841 17 C -0.2832 3.5197 -0.8680 C.3 1 UNL1 -0.3159 18 C -0.2777 1.0205 -0.4485 C.ar 1 UNL1 -0.1425 19 C -0.9590 2.2214 -0.5894 C.ar 1 UNL1 -0.0601 20 C 2.8730 -0.6849 -1.0666 C.3 1 UNL1 0.3325 21 C 4.1464 -2.3877 0.2593 C.3 1 UNL1 0.0830 22 C 3.0486 -1.3092 0.3223 C.3 1 UNL1 -0.3946 23 C 5.0455 -2.2811 -1.0102 C.3 1 UNL1 0.0480 24 C 4.1946 -2.2015 -2.2968 C.3 1 UNL1 0.1149 25 C -1.0107 -0.1544 -0.1479 C.ar 1 UNL1 0.3158 26 C 1.7842 3.8132 0.7093 C.2 1 UNL1 0.3749 27 C -2.3628 2.2401 -0.4327 C.ar 1 UNL1 0.1947 28 C -2.3754 -0.0928 0.1458 C.ar 1 UNL1 -0.2032 29 C -3.0665 1.1127 -0.0260 C.ar 1 UNL1 -0.1292 30 C 3.9665 -3.5691 -2.9261 C.3 1 UNL1 -0.4703 31 C 0.9320 3.7278 1.9641 C.3 1 UNL1 -0.0976 32 C -3.1017 -1.2815 0.6587 C.2 1 UNL1 0.4954 33 C -4.5302 1.1515 0.2188 C.2 1 UNL1 0.4540 34 C -4.5283 -1.3465 0.2554 C.ar 1 UNL1 -0.1909 35 C -5.2307 -0.1529 0.0523 C.ar 1 UNL1 -0.0837 36 C 5.6492 -1.4467 2.1369 C.2 1 UNL1 0.6107 37 C -5.1994 -2.5533 0.0669 C.ar 1 UNL1 0.2557 38 C -6.5725 -0.1644 -0.3068 C.ar 1 UNL1 -0.1377 39 C 5.5039 0.0026 1.7929 C.3 1 UNL1 -0.5297 40 C -6.5457 -2.5808 -0.3285 C.ar 1 UNL1 -0.2103 41 C -7.2259 -1.3855 -0.5092 C.ar 1 UNL1 -0.1085 42 C -4.4975 -4.3082 1.4352 C.3 1 UNL1 -0.1859 43 H 2.6216 4.7024 -1.4893 H 1 UNL1 0.3397 44 H 6.5483 -1.1354 -0.4037 H 1 UNL1 0.3308 45 H 0.4423 -1.3787 -0.5618 H 1 UNL1 0.3613 46 H -2.7080 3.9534 -1.3050 H 1 UNL1 0.3187 47 H -0.4884 2.3676 1.6838 H 1 UNL1 0.3275 48 H 5.1269 -3.3967 1.8251 H 1 UNL1 0.3198 49 H 1.6213 0.8860 0.5547 H 1 UNL1 0.1537 50 H 1.6576 2.0959 -2.3026 H 1 UNL1 0.1931 51 H 2.9429 2.1928 -1.0989 H 1 UNL1 0.1648 52 H -0.4868 3.8218 -1.9303 H 1 UNL1 0.1914 53 H -0.7135 4.3399 -0.2529 H 1 UNL1 0.1689 54 H 3.6107 0.0994 -1.3271 H 1 UNL1 0.1323 55 H 3.6160 -3.3854 0.1739 H 1 UNL1 0.1535 56 H 2.0973 -1.7777 0.6563 H 1 UNL1 0.1775 57 H 3.2557 -0.5402 1.0839 H 1 UNL1 0.1708 58 H 5.7579 -3.1335 -1.0477 H 1 UNL1 0.1330 59 H 4.6601 -1.4827 -3.0144 H 1 UNL1 0.1498 60 H 3.4745 -4.2621 -2.2325 H 1 UNL1 0.1615 61 H 4.9052 -4.0219 -3.2667 H 1 UNL1 0.1561 62 H 3.3023 -3.4838 -3.7992 H 1 UNL1 0.1725 63 H 1.5676 3.8494 2.8721 H 1 UNL1 0.1766 64 H 0.1497 4.5073 1.9738 H 1 UNL1 0.1438 65 H -7.1115 0.7772 -0.4304 H 1 UNL1 0.1742 66 H 6.4247 0.5446 2.0693 H 1 UNL1 0.1874 67 H 4.6978 0.4579 2.3886 H 1 UNL1 0.1862 68 H 5.3044 0.2086 0.7346 H 1 UNL1 0.1864 69 H -7.0329 -3.5404 -0.4924 H 1 UNL1 0.1702 70 H -8.2733 -1.3933 -0.8112 H 1 UNL1 0.1555 71 H -3.8158 -5.1586 1.3059 H 1 UNL1 0.1524 72 H -5.4976 -4.6398 1.7246 H 1 UNL1 0.1207 73 H -4.0804 -3.6008 2.1626 H 1 UNL1 0.1545 @BOND 1 62 30 1 2 61 30 1 3 59 24 1 4 30 24 1 5 30 60 1 6 50 16 1 7 24 2 1 8 24 23 1 9 2 20 1 10 52 17 1 11 3 43 1 12 3 15 1 13 54 20 1 14 46 6 1 15 1 20 1 16 1 14 1 17 16 51 1 18 16 15 1 19 16 14 1 20 20 22 1 21 58 23 1 22 4 23 1 23 4 44 1 24 23 21 1 25 17 15 1 26 17 19 1 27 17 53 1 28 70 41 1 29 15 26 1 30 19 18 ar 31 19 27 ar 32 6 27 1 33 45 5 1 34 41 40 ar 35 41 38 ar 36 69 40 1 37 14 18 1 38 14 49 1 39 18 25 ar 40 27 29 ar 41 65 38 1 42 40 37 ar 43 38 35 ar 44 25 5 1 45 25 28 ar 46 29 28 ar 47 29 33 1 48 35 33 1 49 35 34 ar 50 37 12 1 51 37 34 ar 52 12 42 1 53 28 32 1 54 55 21 1 55 33 10 2 56 34 32 1 57 21 22 1 58 21 13 1 59 22 56 1 60 22 57 1 61 32 9 2 62 26 7 2 63 26 31 1 64 68 39 1 65 71 42 1 66 42 72 1 67 42 73 1 68 13 48 1 69 13 36 am 70 47 8 1 71 39 66 1 72 39 36 1 73 39 67 1 74 31 64 1 75 31 8 1 76 31 63 1 77 36 11 2