@MOLECULE 2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-(dimethylamino)hexopyranoside 98 103 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.4968 1.3584 0.6142 O.3 1 UNL11 -0.3989 2 O 2.7787 1.2054 0.2408 O.3 1 UNL11 -0.4504 3 O -1.0597 3.9763 0.2442 O.3 1 UNL11 -0.5671 4 O -3.5739 2.0569 -1.2384 O.3 1 UNL11 -0.4848 5 O 4.3724 2.4900 1.2887 O.3 1 UNL11 -0.4619 6 O -2.3231 -0.7555 -0.9216 O.3 1 UNL11 -0.4351 7 O -5.5702 0.1994 -1.4781 O.3 1 UNL11 -0.5461 8 O 2.4803 -1.0654 1.6123 O.3 1 UNL11 -0.4716 9 O 6.8802 2.7413 -0.0927 O.3 1 UNL11 -0.5346 10 O -2.3395 -3.3458 -1.1073 O.2 1 UNL11 -0.4919 11 O 2.3740 -3.6365 1.4130 O.2 1 UNL11 -0.5943 12 O 2.3485 -6.2283 1.2198 O.3 1 UNL11 -0.4640 13 N -7.1862 1.2553 0.8931 N.3 1 UNL11 -0.3956 14 N 6.1968 0.5700 -2.0127 N.3 1 UNL11 -0.3999 15 C -0.5282 2.7587 0.7306 C.3 1 UNL11 0.2701 16 C -1.2417 1.5823 -0.0069 C.3 1 UNL11 0.0512 17 C 0.9684 2.6961 0.4124 C.3 1 UNL11 -0.3855 18 C 1.5858 1.4133 0.9804 C.3 1 UNL11 0.1582 19 C -0.5157 0.2752 0.1555 C.ar 1 UNL11 -0.0449 20 C 0.7407 0.1968 0.6924 C.ar 1 UNL11 -0.0730 21 C -0.8600 2.7696 2.2296 C.3 1 UNL11 -0.2661 22 C -3.5486 2.1963 0.1754 C.3 1 UNL11 0.3220 23 C 3.9778 1.1783 0.9866 C.3 1 UNL11 0.3275 24 C -6.0749 1.9171 0.1807 C.3 1 UNL11 0.0023 25 C -4.7565 1.6018 0.9052 C.3 1 UNL11 -0.3647 26 C 5.2085 1.3218 -1.1983 C.3 1 UNL11 -0.0033 27 C 4.9705 0.4704 0.0683 C.3 1 UNL11 -0.3484 28 C -1.1688 -0.9304 -0.2713 C.ar 1 UNL11 0.3382 29 C -5.9109 1.5522 -1.3203 C.3 1 UNL11 0.0464 30 C 1.3138 -1.0892 0.9549 C.ar 1 UNL11 0.3464 31 C 5.6464 2.7444 -0.7623 C.3 1 UNL11 0.0664 32 C -4.7771 2.4386 -1.8826 C.3 1 UNL11 0.1014 33 C 4.5513 3.3380 0.1594 C.3 1 UNL11 0.0927 34 C -0.5914 -2.1791 -0.0670 C.ar 1 UNL11 -0.2689 35 C -0.0868 3.8394 2.9946 C.3 1 UNL11 -0.4344 36 C 0.6708 -2.2621 0.5811 C.ar 1 UNL11 -0.2624 37 C -4.5161 2.1597 -3.3570 C.3 1 UNL11 -0.4600 38 C 4.9707 4.6751 0.7548 C.3 1 UNL11 -0.4638 39 C -1.2684 -3.3922 -0.5202 C.2 1 UNL11 0.4928 40 C 1.2834 -3.5615 0.8345 C.2 1 UNL11 0.5544 41 C -8.4881 1.8515 0.5188 C.3 1 UNL11 -0.2798 42 C -7.2283 -0.2092 0.7048 C.3 1 UNL11 -0.2677 43 C 0.6081 -4.7766 0.3954 C.ar 1 UNL11 -0.3212 44 C -0.6351 -4.7108 -0.2628 C.ar 1 UNL11 -0.0212 45 C 7.1821 1.4111 -2.7157 C.3 1 UNL11 -0.2803 46 C 5.4945 -0.3058 -2.9802 C.3 1 UNL11 -0.2807 47 C 1.1729 -6.0426 0.6110 C.ar 1 UNL11 0.3778 48 C -1.2803 -5.8587 -0.6806 C.ar 1 UNL11 -0.1759 49 C 0.5200 -7.2239 0.1874 C.ar 1 UNL11 -0.2495 50 C -0.6961 -7.1203 -0.4510 C.ar 1 UNL11 -0.0551 51 H -1.3720 1.8167 -1.0912 H 1 UNL11 0.1662 52 H 1.4879 3.5848 0.8217 H 1 UNL11 0.1755 53 H 1.1385 2.7376 -0.6817 H 1 UNL11 0.1631 54 H 1.7882 1.5072 2.0732 H 1 UNL11 0.1492 55 H -0.6754 1.7657 2.6575 H 1 UNL11 0.1504 56 H -1.9508 2.9460 2.3503 H 1 UNL11 0.1625 57 H -3.3263 3.2604 0.3992 H 1 UNL11 0.1318 58 H 3.8545 0.7211 1.9916 H 1 UNL11 0.1450 59 H -6.2613 3.0242 0.2519 H 1 UNL11 0.1371 60 H -4.6213 0.5015 1.0047 H 1 UNL11 0.1831 61 H -4.7971 1.9720 1.9480 H 1 UNL11 0.1709 62 H 4.2332 1.4343 -1.7464 H 1 UNL11 0.1366 63 H 4.5855 -0.5310 -0.2089 H 1 UNL11 0.1725 64 H 5.9281 0.2840 0.5901 H 1 UNL11 0.1678 65 H -6.8584 1.6513 -1.8846 H 1 UNL11 0.1435 66 H 5.8372 3.4080 -1.6330 H 1 UNL11 0.1440 67 H -4.9610 3.5174 -1.6925 H 1 UNL11 0.1173 68 H -0.9161 4.0768 -0.7152 H 1 UNL11 0.3151 69 H 3.5808 3.4127 -0.3793 H 1 UNL11 0.1302 70 H -0.2032 4.8217 2.5165 H 1 UNL11 0.1558 71 H -0.4533 3.9307 4.0232 H 1 UNL11 0.1390 72 H 0.9844 3.6196 3.0469 H 1 UNL11 0.1408 73 H -3.6022 2.6610 -3.6983 H 1 UNL11 0.1574 74 H -5.3498 2.4956 -3.9810 H 1 UNL11 0.1499 75 H -4.3783 1.0815 -3.5339 H 1 UNL11 0.1744 76 H 6.0022 4.6345 1.1360 H 1 UNL11 0.1715 77 H 4.9224 5.4780 0.0130 H 1 UNL11 0.1492 78 H 4.3260 4.9454 1.6009 H 1 UNL11 0.1589 79 H -4.6214 0.0636 -1.2281 H 1 UNL11 0.3421 80 H -2.7150 -1.6543 -1.2094 H 1 UNL11 0.3720 81 H 2.8354 -2.0125 1.7514 H 1 UNL11 0.3836 82 H -8.4811 2.9267 0.7588 H 1 UNL11 0.1399 83 H -8.7629 1.7248 -0.5384 H 1 UNL11 0.1191 84 H -9.2773 1.3899 1.1362 H 1 UNL11 0.1466 85 H -7.9510 -0.6316 1.4215 H 1 UNL11 0.1381 86 H -6.2422 -0.6477 0.9285 H 1 UNL11 0.1485 87 H -7.5033 -0.5289 -0.3135 H 1 UNL11 0.1390 88 H 6.8115 2.2117 0.7331 H 1 UNL11 0.3260 89 H 7.8663 0.7587 -3.2841 H 1 UNL11 0.1419 90 H 7.8037 1.9388 -1.9661 H 1 UNL11 0.1727 91 H 6.7517 2.1487 -3.4067 H 1 UNL11 0.1121 92 H 4.7740 -0.9440 -2.4422 H 1 UNL11 0.1450 93 H 4.9585 0.2309 -3.7762 H 1 UNL11 0.1163 94 H 6.2339 -0.9775 -3.4471 H 1 UNL11 0.1462 95 H -2.2449 -5.7911 -1.1903 H 1 UNL11 0.1842 96 H 0.9968 -8.1845 0.3768 H 1 UNL11 0.1826 97 H -1.2207 -8.0170 -0.7866 H 1 UNL11 0.1581 98 H 2.7599 -5.3371 1.4953 H 1 UNL11 0.3820 @BOND 1 1 16 1 2 1 22 1 3 2 18 1 4 2 23 1 5 3 15 1 6 3 68 1 7 4 22 1 8 4 32 1 9 5 23 1 10 5 33 1 11 6 28 1 12 6 80 1 13 7 29 1 14 7 79 1 15 8 30 1 16 8 81 1 17 9 31 1 18 9 88 1 19 10 39 2 20 11 40 2 21 12 47 1 22 12 98 1 23 13 24 1 24 13 41 1 25 13 42 1 26 14 26 1 27 14 45 1 28 14 46 1 29 15 16 1 30 15 17 1 31 15 21 1 32 16 19 1 33 16 51 1 34 17 18 1 35 17 52 1 36 17 53 1 37 18 20 1 38 18 54 1 39 19 20 ar 40 19 28 ar 41 20 30 ar 42 21 35 1 43 21 55 1 44 21 56 1 45 22 25 1 46 22 57 1 47 23 27 1 48 23 58 1 49 24 25 1 50 24 29 1 51 24 59 1 52 25 60 1 53 25 61 1 54 26 27 1 55 26 31 1 56 26 62 1 57 27 63 1 58 27 64 1 59 28 34 ar 60 29 32 1 61 29 65 1 62 30 36 ar 63 31 33 1 64 31 66 1 65 32 37 1 66 32 67 1 67 33 38 1 68 33 69 1 69 34 36 ar 70 34 39 1 71 35 70 1 72 35 71 1 73 35 72 1 74 36 40 1 75 37 73 1 76 37 74 1 77 37 75 1 78 38 76 1 79 38 77 1 80 38 78 1 81 39 44 1 82 40 43 1 83 41 82 1 84 41 83 1 85 41 84 1 86 42 85 1 87 42 86 1 88 42 87 1 89 43 44 ar 90 43 47 ar 91 44 48 ar 92 45 89 1 93 45 90 1 94 45 91 1 95 46 92 1 96 46 93 1 97 46 94 1 98 47 49 ar 99 48 50 ar 100 48 95 1 101 49 50 ar 102 49 96 1 103 50 97 1