@MOLECULE methyl (1r,2r,4s)-2-ethyl-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-alpha-l-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate 80 84 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.9067 2.7107 -1.5257 O.3 1 UNL1111111111 -0.4421 2 C -1.5621 1.6661 -0.7456 C.ar 1 UNL1111111111 0.2484 3 C -2.4941 0.6400 -0.6393 C.ar 1 UNL1111111111 -0.1445 4 C -2.2280 -0.4509 0.2101 C.ar 1 UNL1111111111 -0.2547 5 C -0.9940 -0.5200 0.8551 C.ar 1 UNL1111111111 0.3242 6 O -0.6379 -1.5281 1.6671 O.3 1 UNL1111111111 -0.4782 7 C -3.2481 -1.4909 0.4452 C.2 1 UNL1111111111 0.5189 8 O -2.9520 -2.5140 1.0412 O.2 1 UNL1111111111 -0.4873 9 C -4.6155 -1.2284 -0.0200 C.ar 1 UNL1111111111 -0.2474 10 C -5.7079 -1.9969 0.4273 C.ar 1 UNL1111111111 0.2917 11 O -5.3836 -2.9714 1.3010 O.3 1 UNL1111111111 -0.2396 12 C -6.4468 -3.7331 1.8639 C.3 1 UNL1111111111 -0.2249 13 C -7.0116 -1.7291 -0.0226 C.ar 1 UNL1111111111 -0.3056 14 C -7.2217 -0.6945 -0.9204 C.ar 1 UNL1111111111 -0.0465 15 C -4.8664 -0.1846 -0.9187 C.ar 1 UNL1111111111 -0.0228 16 C -6.1501 0.0833 -1.3719 C.ar 1 UNL1111111111 -0.1947 17 C -3.7441 0.6644 -1.4261 C.2 1 UNL1111111111 0.4509 18 O -3.8800 1.3022 -2.4402 O.2 1 UNL1111111111 -0.3681 19 C -0.2997 1.5963 -0.0886 C.ar 1 UNL1111111111 -0.0542 20 C 0.6938 2.6943 -0.3072 C.3 1 UNL1111111111 -0.2799 21 C 0.2369 3.8957 0.4779 C.2 1 UNL1111111111 0.6032 22 O 0.4161 4.1796 1.6278 O.2 1 UNL1111111111 -0.4686 23 O -0.4955 4.6894 -0.3627 O.3 1 UNL1111111111 -0.4659 24 C -1.1156 5.8366 0.2089 C.3 1 UNL1111111111 -0.1552 25 C -0.0202 0.5022 0.7014 C.ar 1 UNL1111111111 -0.0783 26 C 1.3144 0.2880 1.3641 C.3 1 UNL1111111111 0.1656 27 C 2.1595 1.5602 1.4274 C.3 1 UNL1111111111 -0.4085 28 C 2.1612 2.3052 0.0904 C.3 1 UNL1111111111 0.3588 29 C 3.0695 3.5500 0.0987 C.3 1 UNL1111111111 -0.3051 30 C 4.5464 3.1665 0.1621 C.3 1 UNL1111111111 -0.4177 31 O 2.6395 1.5040 -0.9608 O.3 1 UNL1111111111 -0.5773 32 O 1.9433 -0.6485 0.4884 O.3 1 UNL1111111111 -0.4837 33 C 2.6820 -1.6827 1.1006 C.3 1 UNL1111111111 0.3351 34 C 2.8939 -2.7094 -0.0119 C.3 1 UNL1111111111 -0.3568 35 C 3.8980 -2.1717 -1.0480 C.3 1 UNL1111111111 0.0055 36 N 4.0669 -3.1692 -2.1212 N.3 1 UNL1111111111 -0.3936 37 C 4.5628 -2.5328 -3.3622 C.3 1 UNL1111111111 -0.2783 38 C 4.9305 -4.3089 -1.7530 C.3 1 UNL1111111111 -0.2655 39 C 5.1895 -1.7269 -0.3068 C.3 1 UNL1111111111 0.0452 40 O 5.7894 -2.8077 0.3653 O.3 1 UNL1111111111 -0.5426 41 C 4.8026 -0.6279 0.7044 C.3 1 UNL1111111111 0.0768 42 O 3.8737 -1.1792 1.6370 O.3 1 UNL1111111111 -0.4689 43 C 5.9798 -0.1879 1.5635 C.3 1 UNL1111111111 -0.4642 44 H -1.4347 3.5465 -1.2713 H 1 UNL1111111111 0.3448 45 H -1.3693 -2.2402 1.6905 H 1 UNL1111111111 0.3822 46 H -7.1401 -3.0986 2.4226 H 1 UNL1111111111 0.1360 47 H -6.9601 -4.3184 1.0952 H 1 UNL1111111111 0.1380 48 H -5.9005 -4.3994 2.5491 H 1 UNL1111111111 0.1643 49 H -7.8503 -2.3264 0.3206 H 1 UNL1111111111 0.1657 50 H -8.2294 -0.4831 -1.2813 H 1 UNL1111111111 0.1524 51 H -6.3184 0.8939 -2.0839 H 1 UNL1111111111 0.1811 52 H 0.7360 2.9332 -1.4129 H 1 UNL1111111111 0.2145 53 H -1.5408 6.3517 -0.6613 H 1 UNL1111111111 0.1508 54 H -1.8945 5.5225 0.9119 H 1 UNL1111111111 0.1405 55 H -0.3686 6.4587 0.7144 H 1 UNL1111111111 0.1446 56 H 1.1954 -0.1517 2.3846 H 1 UNL1111111111 0.1517 57 H 3.1970 1.2983 1.7227 H 1 UNL1111111111 0.1846 58 H 1.7823 2.2273 2.2307 H 1 UNL1111111111 0.1811 59 H 2.8115 4.2034 0.9540 H 1 UNL1111111111 0.1513 60 H 2.8887 4.1428 -0.8200 H 1 UNL1111111111 0.1498 61 H 4.8020 2.6742 1.1065 H 1 UNL1111111111 0.1397 62 H 4.8065 2.4790 -0.6562 H 1 UNL1111111111 0.1632 63 H 5.1873 4.0496 0.0660 H 1 UNL1111111111 0.1371 64 H 2.4179 0.5563 -0.7963 H 1 UNL1111111111 0.3536 65 H 2.1578 -2.0756 2.0008 H 1 UNL1111111111 0.1422 66 H 3.2373 -3.6691 0.4149 H 1 UNL1111111111 0.1619 67 H 1.9292 -2.9356 -0.5163 H 1 UNL1111111111 0.1884 68 H 3.4433 -1.2554 -1.5225 H 1 UNL1111111111 0.1503 69 H 4.6261 -3.2977 -4.1539 H 1 UNL1111111111 0.1456 70 H 3.8293 -1.7807 -3.6994 H 1 UNL1111111111 0.1475 71 H 5.5467 -2.0514 -3.2689 H 1 UNL1111111111 0.1178 72 H 4.6041 -4.7346 -0.7912 H 1 UNL1111111111 0.1441 73 H 4.8166 -5.0925 -2.5202 H 1 UNL1111111111 0.1373 74 H 5.9990 -4.0582 -1.6558 H 1 UNL1111111111 0.1344 75 H 5.9794 -1.3952 -1.0112 H 1 UNL1111111111 0.1468 76 H 5.2826 -3.0131 1.1828 H 1 UNL1111111111 0.3245 77 H 4.3229 0.2385 0.1922 H 1 UNL1111111111 0.1488 78 H 6.6837 0.4238 0.9893 H 1 UNL1111111111 0.1528 79 H 5.6397 0.3962 2.4282 H 1 UNL1111111111 0.1582 80 H 6.5350 -1.0520 1.9564 H 1 UNL1111111111 0.1691 @BOND 1 1 2 1 2 1 44 1 3 2 3 ar 4 2 19 ar 5 3 4 ar 6 3 17 1 7 4 5 ar 8 4 7 1 9 5 6 1 10 5 25 ar 11 6 45 1 12 7 8 2 13 7 9 1 14 9 10 ar 15 9 15 ar 16 10 11 1 17 10 13 ar 18 11 12 1 19 12 46 1 20 12 47 1 21 12 48 1 22 13 14 ar 23 13 49 1 24 14 16 ar 25 14 50 1 26 15 16 ar 27 15 17 1 28 16 51 1 29 17 18 2 30 19 20 1 31 19 25 ar 32 20 21 1 33 20 28 1 34 20 52 1 35 21 22 2 36 21 23 1 37 23 24 1 38 24 53 1 39 24 54 1 40 24 55 1 41 25 26 1 42 26 27 1 43 26 32 1 44 26 56 1 45 27 28 1 46 27 57 1 47 27 58 1 48 28 29 1 49 28 31 1 50 29 30 1 51 29 59 1 52 29 60 1 53 30 61 1 54 30 62 1 55 30 63 1 56 31 64 1 57 32 33 1 58 33 34 1 59 33 42 1 60 33 65 1 61 34 35 1 62 34 66 1 63 34 67 1 64 35 36 1 65 35 39 1 66 35 68 1 67 36 37 1 68 36 38 1 69 37 69 1 70 37 70 1 71 37 71 1 72 38 72 1 73 38 73 1 74 38 74 1 75 39 40 1 76 39 41 1 77 39 75 1 78 40 76 1 79 41 42 1 80 41 43 1 81 41 77 1 82 43 78 1 83 43 79 1 84 43 80 1