@MOLECULE 7-(2-{(2s,4s)-4-[(2,6-dideoxy-2-fluoro-alpha-l-talopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl}-2-oxoethoxy)-7-oxoheptanoic acid 87 91 0 0 0 SMALL GASTEIGER @ATOM 1 F -3.0223 -3.5477 -2.4014 F 1 UNL1111111111 -0.1998 2 O -1.4334 -1.9171 0.2581 O.3 1 UNL1111111111 -0.4227 3 O -3.7023 -2.3759 0.1566 O.3 1 UNL1111111111 -0.4451 4 O -2.8485 1.1066 3.6050 O.3 1 UNL1111111111 -0.5695 5 O -1.9239 -5.7821 -1.3241 O.3 1 UNL1111111111 -0.5317 6 O -4.4835 -5.0467 -0.6396 O.3 1 UNL1111111111 -0.5427 7 O 0.7898 -1.5354 -0.8953 O.3 1 UNL1111111111 -0.4249 8 O 2.0536 1.6176 3.3550 O.3 1 UNL1111111111 -0.4816 9 O -1.5613 2.5344 0.7234 O.2 1 UNL1111111111 -0.4114 10 O -4.0867 3.5257 0.6679 O.3 1 UNL1111111111 -0.4123 11 O 3.3166 -1.8120 -1.3732 O.2 1 UNL1111111111 -0.4870 12 O 4.5496 1.4440 2.6827 O.2 1 UNL1111111111 -0.5017 13 O 5.8263 -1.8048 -2.1751 O.3 1 UNL1111111111 -0.3328 14 O -4.3501 2.0037 -0.9631 O.2 1 UNL1111111111 -0.4974 15 O 1.2848 3.5648 -0.8760 O.3 1 UNL1111111111 -0.5610 16 O 0.6150 2.1872 -2.4936 O.2 1 UNL1111111111 -0.5073 17 C -1.9460 0.9966 2.5203 C.3 1 UNL1111111111 0.2074 18 C -1.3042 -0.5624 0.6648 C.3 1 UNL1111111111 0.1520 19 C -2.1996 -0.3724 1.8979 C.3 1 UNL1111111111 -0.3617 20 C -0.4971 1.1503 2.9751 C.3 1 UNL1111111111 -0.3263 21 C 0.1437 -0.2883 0.9787 C.ar 1 UNL1111111111 -0.0767 22 C 0.4772 0.5256 2.0325 C.ar 1 UNL1111111111 -0.0002 23 C -2.5386 -2.1523 -0.5875 C.3 1 UNL1111111111 0.2739 24 C -2.1122 -3.3900 -1.4122 C.3 1 UNL1111111111 -0.0160 25 C -2.1184 -4.6489 -0.5244 C.3 1 UNL1111111111 0.0686 26 C -3.4392 -4.7736 0.2645 C.3 1 UNL1111111111 0.0365 27 C -2.3516 2.0900 1.5100 C.2 1 UNL1111111111 0.3908 28 C 1.1894 -0.7853 0.1323 C.ar 1 UNL1111111111 0.3559 29 C -3.6825 -3.4766 1.0609 C.3 1 UNL1111111111 0.0869 30 C 1.8523 0.8380 2.2792 C.ar 1 UNL1111111111 0.2801 31 C 2.5300 -0.4739 0.3698 C.ar 1 UNL1111111111 -0.2935 32 C 2.8629 0.3671 1.4612 C.ar 1 UNL1111111111 -0.2436 33 C -3.8026 2.4892 1.5848 C.3 1 UNL1111111111 -0.1149 34 C -5.0686 -3.4656 1.6947 C.3 1 UNL1111111111 -0.4646 35 C 3.5909 -1.0229 -0.4824 C.2 1 UNL1111111111 0.5154 36 C 4.2524 0.7349 1.7319 C.2 1 UNL1111111111 0.4997 37 C 4.9943 -0.6328 -0.2282 C.ar 1 UNL1111111111 -0.1875 38 C 5.3130 0.2230 0.8375 C.ar 1 UNL1111111111 -0.0809 39 C 6.0438 -1.0823 -1.0353 C.ar 1 UNL1111111111 0.2667 40 C 6.6240 0.6068 1.0918 C.ar 1 UNL1111111111 -0.1268 41 C 7.3750 -0.7028 -0.7898 C.ar 1 UNL1111111111 -0.2063 42 C 7.6583 0.1409 0.2718 C.ar 1 UNL1111111111 -0.1065 43 C -4.3104 3.1570 -0.6279 C.2 1 UNL1111111111 0.6177 44 C -4.5088 4.3874 -1.4567 C.3 1 UNL1111111111 -0.3524 45 C -3.5049 4.3677 -2.6149 C.3 1 UNL1111111111 -0.2547 46 C -2.0692 4.5172 -2.1024 C.3 1 UNL1111111111 -0.2858 47 C 5.6854 -3.2059 -1.9463 C.3 1 UNL1111111111 -0.1810 48 C -1.0806 4.5153 -3.2732 C.3 1 UNL1111111111 -0.2532 49 C 0.3674 4.5954 -2.7751 C.3 1 UNL1111111111 -0.3493 50 C 0.7338 3.3143 -2.0918 C.2 1 UNL1111111111 0.6523 51 H -1.6160 0.1134 -0.1771 H 1 UNL1111111111 0.1618 52 H -3.2667 -0.5031 1.6194 H 1 UNL1111111111 0.1867 53 H -2.0065 -1.1712 2.6422 H 1 UNL1111111111 0.1780 54 H -0.3597 0.6963 3.9851 H 1 UNL1111111111 0.1787 55 H -0.2432 2.2313 3.1066 H 1 UNL1111111111 0.1885 56 H -2.8247 -1.2659 -1.2018 H 1 UNL1111111111 0.1623 57 H -1.0989 -3.2342 -1.8747 H 1 UNL1111111111 0.1782 58 H -1.2345 -4.6521 0.1566 H 1 UNL1111111111 0.1612 59 H -3.4283 -5.6728 0.9209 H 1 UNL1111111111 0.1545 60 H -2.8772 -3.3078 1.8076 H 1 UNL1111111111 0.1374 61 H -2.4408 1.5376 4.3812 H 1 UNL1111111111 0.3298 62 H -4.4679 1.6130 1.4258 H 1 UNL1111111111 0.1780 63 H -4.0482 2.9467 2.5654 H 1 UNL1111111111 0.1777 64 H -5.1839 -2.6392 2.4054 H 1 UNL1111111111 0.1561 65 H -5.2748 -4.4058 2.2175 H 1 UNL1111111111 0.1583 66 H -5.8541 -3.3380 0.9371 H 1 UNL1111111111 0.1669 67 H -2.7616 -6.0083 -1.8003 H 1 UNL1111111111 0.3402 68 H -4.9032 -4.2080 -0.9476 H 1 UNL1111111111 0.3356 69 H 1.5936 -1.8401 -1.4536 H 1 UNL1111111111 0.3764 70 H 3.0464 1.8089 3.4846 H 1 UNL1111111111 0.3830 71 H 6.8469 1.2751 1.9291 H 1 UNL1111111111 0.1822 72 H 8.1648 -1.0716 -1.4433 H 1 UNL1111111111 0.1749 73 H 8.6849 0.4455 0.4754 H 1 UNL1111111111 0.1597 74 H -4.3877 5.3083 -0.8469 H 1 UNL1111111111 0.1775 75 H -5.5509 4.4067 -1.8408 H 1 UNL1111111111 0.1738 76 H -3.6094 3.4199 -3.1861 H 1 UNL1111111111 0.1611 77 H -3.7431 5.1783 -3.3283 H 1 UNL1111111111 0.1427 78 H -1.9630 5.4450 -1.5102 H 1 UNL1111111111 0.1420 79 H -1.8285 3.6916 -1.3971 H 1 UNL1111111111 0.1703 80 H 5.3506 -3.5683 -2.9258 H 1 UNL1111111111 0.1579 81 H 4.9205 -3.4241 -1.1933 H 1 UNL1111111111 0.1452 82 H 6.6533 -3.6306 -1.6678 H 1 UNL1111111111 0.1196 83 H -1.2855 5.3687 -3.9485 H 1 UNL1111111111 0.1405 84 H -1.2155 3.6004 -3.8850 H 1 UNL1111111111 0.1602 85 H 1.0609 4.7648 -3.6267 H 1 UNL1111111111 0.1740 86 H 0.5039 5.4624 -2.0940 H 1 UNL1111111111 0.1795 87 H 1.4776 2.7478 -0.3532 H 1 UNL1111111111 0.3563 @BOND 1 1 24 1 2 2 18 1 3 2 23 1 4 3 23 1 5 3 29 1 6 4 17 1 7 4 61 1 8 5 25 1 9 5 67 1 10 6 26 1 11 6 68 1 12 7 28 1 13 7 69 1 14 8 30 1 15 8 70 1 16 9 27 2 17 10 33 1 18 10 43 1 19 11 35 2 20 12 36 2 21 13 39 1 22 13 47 1 23 14 43 2 24 15 50 1 25 15 87 1 26 16 50 2 27 17 19 1 28 17 20 1 29 17 27 1 30 18 19 1 31 18 21 1 32 18 51 1 33 19 52 1 34 19 53 1 35 20 22 1 36 20 54 1 37 20 55 1 38 21 22 ar 39 21 28 ar 40 22 30 ar 41 23 24 1 42 23 56 1 43 24 25 1 44 24 57 1 45 25 26 1 46 25 58 1 47 26 29 1 48 26 59 1 49 27 33 1 50 28 31 ar 51 29 34 1 52 29 60 1 53 30 32 ar 54 31 32 ar 55 31 35 1 56 32 36 1 57 33 62 1 58 33 63 1 59 34 64 1 60 34 65 1 61 34 66 1 62 35 37 1 63 36 38 1 64 37 38 ar 65 37 39 ar 66 38 40 ar 67 39 41 ar 68 40 42 ar 69 40 71 1 70 41 42 ar 71 41 72 1 72 42 73 1 73 43 44 1 74 44 45 1 75 44 74 1 76 44 75 1 77 45 46 1 78 45 76 1 79 45 77 1 80 46 48 1 81 46 78 1 82 46 79 1 83 47 80 1 84 47 81 1 85 47 82 1 86 48 49 1 87 48 83 1 88 48 84 1 89 49 50 1 90 49 85 1 91 49 86 1