@MOLECULE (1s,3s)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-(octanoylamino)-alpha-l-lyxo-hexopyranoside 90 94 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.7960 0.8796 0.8479 O.3 1 UNL1111111111 -0.4019 2 O 3.9481 1.1399 1.6357 O.3 1 UNL1111111111 -0.4461 3 O 2.3044 2.8128 -1.2702 O.3 1 UNL1111111111 -0.5133 4 O 5.8657 -0.8737 1.1432 O.3 1 UNL1111111111 -0.5344 5 O -0.7084 0.1375 1.9619 O.3 1 UNL1111111111 -0.4598 6 O -2.1691 3.6798 -1.8899 O.3 1 UNL1111111111 -0.4745 7 O 3.3877 5.1718 -1.4487 O.2 1 UNL1111111111 -0.4460 8 O -3.0983 -0.8449 1.9049 O.2 1 UNL1111111111 -0.5018 9 O -4.4928 2.5210 -2.0129 O.2 1 UNL1111111111 -0.5028 10 O 3.8935 -2.7672 -2.1800 O.2 1 UNL1111111111 -0.5299 11 O -5.3948 -2.1017 1.6823 O.3 1 UNL1111111111 -0.3301 12 N 4.0146 -2.7599 0.0717 N.am 1 UNL1111111111 -0.6362 13 C 1.0915 2.0277 1.2943 C.3 1 UNL1111111111 0.1588 14 C 1.7355 3.7960 -0.4418 C.3 1 UNL1111111111 0.2199 15 C 1.8853 3.3089 0.9991 C.3 1 UNL1111111111 -0.3644 16 C 0.2671 3.9735 -0.8578 C.3 1 UNL1111111111 -0.3225 17 C -0.2351 1.9660 0.5922 C.ar 1 UNL1111111111 -0.0777 18 C 3.6723 -1.3304 0.1650 C.3 1 UNL1111111111 0.0589 19 C 2.7662 0.4136 1.7670 C.3 1 UNL1111111111 0.3198 20 C -0.5981 2.8613 -0.3772 C.ar 1 UNL1111111111 0.0283 21 C 2.9176 -1.0833 1.4780 C.3 1 UNL1111111111 -0.3661 22 C 4.9683 -0.4814 0.1224 C.3 1 UNL1111111111 0.0565 23 C 4.6401 0.9994 0.3993 C.3 1 UNL1111111111 0.1232 24 C -1.1601 0.9503 0.9993 C.ar 1 UNL1111111111 0.3432 25 C 2.4985 5.1265 -0.6351 C.2 1 UNL1111111111 0.4212 26 C -1.9080 2.7543 -0.9529 C.ar 1 UNL1111111111 0.2893 27 C -2.4412 0.8661 0.4644 C.ar 1 UNL1111111111 -0.2882 28 C -2.8145 1.7885 -0.5481 C.ar 1 UNL1111111111 -0.2482 29 C 5.9136 1.8117 0.6051 C.3 1 UNL1111111111 -0.4589 30 C 2.0825 6.3293 0.1435 C.3 1 UNL1111111111 -0.5494 31 C -3.4010 -0.1172 0.9703 C.2 1 UNL1111111111 0.5212 32 C -4.1484 1.7338 -1.1426 C.2 1 UNL1111111111 0.5005 33 C 4.0330 -3.4009 -1.1551 C.2 1 UNL1111111111 0.5948 34 C -4.7446 -0.1812 0.3630 C.ar 1 UNL1111111111 -0.1913 35 C -5.1032 0.7047 -0.6648 C.ar 1 UNL1111111111 -0.0763 36 C 4.2919 -4.8947 -1.1385 C.3 1 UNL1111111111 -0.3691 37 C 3.2065 -5.6647 -0.3787 C.3 1 UNL1111111111 -0.2577 38 C -5.6921 -1.1215 0.7748 C.ar 1 UNL1111111111 0.2637 39 C -6.3602 0.6499 -1.2561 C.ar 1 UNL1111111111 -0.1284 40 C 1.8311 -5.4588 -1.0267 C.3 1 UNL1111111111 -0.2719 41 C 0.7196 -6.1344 -0.2142 C.3 1 UNL1111111111 -0.2742 42 C -6.9667 -1.1835 0.1851 C.ar 1 UNL1111111111 -0.2084 43 C -7.2948 -0.3012 -0.8314 C.ar 1 UNL1111111111 -0.1031 44 C -0.6358 -6.0359 -0.9302 C.3 1 UNL1111111111 -0.2721 45 C -1.1467 -4.5893 -1.0024 C.3 1 UNL1111111111 -0.2437 46 C -5.5466 -1.6778 3.0366 C.3 1 UNL1111111111 -0.1826 47 C -2.5259 -4.5335 -1.6598 C.3 1 UNL1111111111 -0.4382 48 H 0.9173 1.9464 2.4014 H 1 UNL1111111111 0.1313 49 H 2.9630 3.0986 1.1979 H 1 UNL1111111111 0.2012 50 H 1.5800 4.1006 1.7070 H 1 UNL1111111111 0.1442 51 H -0.1445 4.9391 -0.4926 H 1 UNL1111111111 0.1655 52 H 0.2110 4.0352 -1.9729 H 1 UNL1111111111 0.1918 53 H 3.0291 -1.0419 -0.7154 H 1 UNL1111111111 0.1860 54 H 2.4772 0.6271 2.8220 H 1 UNL1111111111 0.1238 55 H 3.4700 -1.5380 2.3253 H 1 UNL1111111111 0.1599 56 H 1.9152 -1.5554 1.4422 H 1 UNL1111111111 0.1740 57 H 5.4807 -0.6025 -0.8583 H 1 UNL1111111111 0.1388 58 H 3.9903 1.4154 -0.4090 H 1 UNL1111111111 0.1577 59 H 4.0776 -3.2724 0.9331 H 1 UNL1111111111 0.3066 60 H 5.6869 2.8685 0.7750 H 1 UNL1111111111 0.1469 61 H 6.5907 1.7275 -0.2523 H 1 UNL1111111111 0.1542 62 H 6.4601 1.4449 1.4897 H 1 UNL1111111111 0.1740 63 H 2.8029 3.2300 -2.0206 H 1 UNL1111111111 0.3300 64 H 6.1065 -1.8124 1.0253 H 1 UNL1111111111 0.3052 65 H 1.8910 6.1166 1.2013 H 1 UNL1111111111 0.1739 66 H 1.1647 6.7673 -0.2787 H 1 UNL1111111111 0.1809 67 H 2.8511 7.1185 0.1009 H 1 UNL1111111111 0.1855 68 H -1.4339 -0.5299 2.2318 H 1 UNL1111111111 0.3786 69 H 5.2920 -5.1074 -0.7139 H 1 UNL1111111111 0.1587 70 H 4.3355 -5.2456 -2.1942 H 1 UNL1111111111 0.1809 71 H -3.1055 3.5501 -2.2707 H 1 UNL1111111111 0.3806 72 H 3.4576 -6.7430 -0.3689 H 1 UNL1111111111 0.1414 73 H 3.1737 -5.3566 0.6821 H 1 UNL1111111111 0.1327 74 H 1.8408 -5.8503 -2.0616 H 1 UNL1111111111 0.1435 75 H 1.6141 -4.3758 -1.1236 H 1 UNL1111111111 0.1532 76 H -6.6175 1.3556 -2.0529 H 1 UNL1111111111 0.1832 77 H 0.6482 -5.6782 0.7905 H 1 UNL1111111111 0.1357 78 H 0.9689 -7.1990 -0.0475 H 1 UNL1111111111 0.1296 79 H -7.6727 -1.9314 0.5378 H 1 UNL1111111111 0.1737 80 H -8.2796 -0.3419 -1.3002 H 1 UNL1111111111 0.1602 81 H -0.5580 -6.4595 -1.9477 H 1 UNL1111111111 0.1355 82 H -1.3803 -6.6633 -0.4028 H 1 UNL1111111111 0.1325 83 H -0.4337 -3.9620 -1.5716 H 1 UNL1111111111 0.1404 84 H -1.1914 -4.1525 0.0114 H 1 UNL1111111111 0.1358 85 H -5.1549 -2.5401 3.5942 H 1 UNL1111111111 0.1558 86 H -6.6069 -1.5111 3.2544 H 1 UNL1111111111 0.1201 87 H -4.9448 -0.7900 3.2592 H 1 UNL1111111111 0.1436 88 H -2.5209 -4.9986 -2.6505 H 1 UNL1111111111 0.1399 89 H -2.8607 -3.4968 -1.7832 H 1 UNL1111111111 0.1435 90 H -3.2790 -5.0498 -1.0534 H 1 UNL1111111111 0.1391 @BOND 1 1 13 1 2 1 19 1 3 2 19 1 4 2 23 1 5 3 14 1 6 3 63 1 7 4 22 1 8 4 64 1 9 5 24 1 10 5 68 1 11 6 26 1 12 6 71 1 13 7 25 2 14 8 31 2 15 9 32 2 16 10 33 2 17 11 38 1 18 11 46 1 19 12 18 1 20 12 33 am 21 12 59 1 22 13 15 1 23 13 17 1 24 13 48 1 25 14 15 1 26 14 16 1 27 14 25 1 28 15 49 1 29 15 50 1 30 16 20 1 31 16 51 1 32 16 52 1 33 17 20 ar 34 17 24 ar 35 18 21 1 36 18 22 1 37 18 53 1 38 19 21 1 39 19 54 1 40 20 26 ar 41 21 55 1 42 21 56 1 43 22 23 1 44 22 57 1 45 23 29 1 46 23 58 1 47 24 27 ar 48 25 30 1 49 26 28 ar 50 27 28 ar 51 27 31 1 52 28 32 1 53 29 60 1 54 29 61 1 55 29 62 1 56 30 65 1 57 30 66 1 58 30 67 1 59 31 34 1 60 32 35 1 61 33 36 1 62 34 35 ar 63 34 38 ar 64 35 39 ar 65 36 37 1 66 36 69 1 67 36 70 1 68 37 40 1 69 37 72 1 70 37 73 1 71 38 42 ar 72 39 43 ar 73 39 76 1 74 40 41 1 75 40 74 1 76 40 75 1 77 41 44 1 78 41 77 1 79 41 78 1 80 42 43 ar 81 42 79 1 82 43 80 1 83 44 45 1 84 44 81 1 85 44 82 1 86 45 47 1 87 45 83 1 88 45 84 1 89 46 85 1 90 46 86 1 91 46 87 1 92 47 88 1 93 47 89 1 94 47 90 1