@MOLECULE (1s,3s)-3,5,12-trihydroxy-3-[(1s)-1-hydroxyethyl]-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-alpha-l-lyxo-hexopyranoside 69 73 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.9679 0.7744 0.5358 O.3 1 UNL1111111111 -0.5120 2 O -2.5408 -1.5061 -1.3551 O.3 1 UNL1111111111 -0.5731 3 O -4.2257 1.1772 0.9031 O.3 1 UNL1111111111 -0.4607 4 O -3.5060 -4.3054 0.6406 O.3 1 UNL1111111111 -0.5650 5 O -5.3873 3.3758 -0.5079 O.3 1 UNL1111111111 -0.5437 6 O 0.5421 1.4254 1.2794 O.3 1 UNL1111111111 -0.4340 7 O 1.7017 -3.5536 -0.6304 O.3 1 UNL1111111111 -0.4209 8 O 3.2060 1.5615 1.7798 O.2 1 UNL1111111111 -0.3898 9 O 4.2270 -2.9895 0.0699 O.2 1 UNL1111111111 -0.3754 10 O 4.8335 2.9091 -0.1913 O.3 1 UNL1111111111 -0.3513 11 N -2.9701 4.2495 -1.7021 N.3 1 UNL1111111111 -0.6425 12 C -2.4653 -2.3135 -0.2035 C.3 1 UNL1111111111 0.2820 13 C -2.6992 -1.4932 1.0670 C.3 1 UNL1111111111 -0.4008 14 C -1.6349 -0.4123 1.2623 C.3 1 UNL1111111111 0.1580 15 C -1.0790 -2.9865 -0.1496 C.3 1 UNL1111111111 -0.3538 16 C -0.2694 -0.7834 0.7482 C.ar 1 UNL1111111111 -0.1629 17 C 0.0015 -2.0218 0.1903 C.ar 1 UNL1111111111 -0.0246 18 C -3.5523 -3.4050 -0.4442 C.3 1 UNL1111111111 0.1432 19 C -2.9283 1.6359 1.1220 C.3 1 UNL1111111111 0.3352 20 C -2.6588 2.9942 0.4678 C.3 1 UNL1111111111 -0.4089 21 C -3.0632 2.9494 -1.0235 C.3 1 UNL1111111111 0.0265 22 C -4.5262 2.4493 -1.1289 C.3 1 UNL1111111111 0.0764 23 C 0.7819 0.1525 0.8977 C.ar 1 UNL1111111111 0.2934 24 C 1.3469 -2.3679 -0.0795 C.ar 1 UNL1111111111 0.2197 25 C -4.6363 1.0661 -0.4627 C.3 1 UNL1111111111 0.0797 26 C 2.1058 -0.1995 0.6540 C.ar 1 UNL1111111111 -0.1931 27 C 2.3924 -1.4879 0.1805 C.ar 1 UNL1111111111 -0.1398 28 C -4.9433 -2.8249 -0.6369 C.3 1 UNL1111111111 -0.4966 29 C -6.0771 0.5833 -0.3763 C.3 1 UNL1111111111 -0.4650 30 C 3.2192 0.7523 0.8886 C.2 1 UNL1111111111 0.4953 31 C 3.8072 -1.8682 -0.0543 C.2 1 UNL1111111111 0.4616 32 C 4.3868 0.5593 -0.0078 C.ar 1 UNL1111111111 -0.1898 33 C 4.6959 -0.7358 -0.4422 C.ar 1 UNL1111111111 -0.0823 34 C 5.1992 1.6109 -0.4273 C.ar 1 UNL1111111111 0.2557 35 C 5.8122 -0.9780 -1.2317 C.ar 1 UNL1111111111 -0.1367 36 C 6.3278 1.3831 -1.2291 C.ar 1 UNL1111111111 -0.2133 37 C 6.6314 0.0871 -1.6212 C.ar 1 UNL1111111111 -0.1084 38 C 5.3997 3.4489 1.0011 C.3 1 UNL1111111111 -0.1877 39 H -2.7093 -2.1687 1.9453 H 1 UNL1111111111 0.1637 40 H -3.7040 -1.0204 1.0363 H 1 UNL1111111111 0.1887 41 H -1.5626 -0.1474 2.3499 H 1 UNL1111111111 0.1377 42 H -0.8876 -3.4513 -1.1440 H 1 UNL1111111111 0.1702 43 H -1.1145 -3.8224 0.5873 H 1 UNL1111111111 0.1851 44 H -3.2585 -4.0486 -1.3076 H 1 UNL1111111111 0.1529 45 H -2.8563 1.6324 2.2330 H 1 UNL1111111111 0.1343 46 H -1.5929 3.2744 0.5659 H 1 UNL1111111111 0.1665 47 H -3.2292 3.7784 1.0004 H 1 UNL1111111111 0.1651 48 H -2.3841 2.2394 -1.5686 H 1 UNL1111111111 0.1602 49 H -4.8780 2.4439 -2.1848 H 1 UNL1111111111 0.1678 50 H -3.9794 0.3185 -0.9646 H 1 UNL1111111111 0.1534 51 H -2.0699 -0.6537 -1.2061 H 1 UNL1111111111 0.3454 52 H -4.9427 -2.0948 -1.4618 H 1 UNL1111111111 0.1786 53 H -5.6665 -3.6109 -0.8885 H 1 UNL1111111111 0.1589 54 H -5.3120 -2.3104 0.2562 H 1 UNL1111111111 0.1472 55 H -4.0151 -3.9747 1.4047 H 1 UNL1111111111 0.3177 56 H -6.4162 0.1794 -1.3372 H 1 UNL1111111111 0.1584 57 H -6.1871 -0.2009 0.3835 H 1 UNL1111111111 0.1570 58 H -6.7640 1.3963 -0.0997 H 1 UNL1111111111 0.1698 59 H -2.1006 4.7201 -1.5150 H 1 UNL1111111111 0.2548 60 H -3.7428 4.8519 -1.4565 H 1 UNL1111111111 0.2653 61 H -5.3683 3.2578 0.4670 H 1 UNL1111111111 0.3213 62 H -0.3967 1.6745 1.0495 H 1 UNL1111111111 0.3386 63 H 0.9428 -4.1884 -0.6792 H 1 UNL1111111111 0.3211 64 H 6.0468 -1.9976 -1.5436 H 1 UNL1111111111 0.1743 65 H 6.9400 2.2269 -1.5394 H 1 UNL1111111111 0.1687 66 H 7.5086 -0.1052 -2.2385 H 1 UNL1111111111 0.1548 67 H 5.0400 2.8990 1.8804 H 1 UNL1111111111 0.1567 68 H 5.0036 4.4720 1.0052 H 1 UNL1111111111 0.1498 69 H 6.4906 3.4481 0.9457 H 1 UNL1111111111 0.1211 @BOND 1 1 14 1 2 1 19 1 3 2 12 1 4 2 51 1 5 3 19 1 6 3 25 1 7 4 18 1 8 4 55 1 9 5 22 1 10 5 61 1 11 6 23 1 12 6 62 1 13 7 24 1 14 7 63 1 15 8 30 2 16 9 31 2 17 10 34 1 18 10 38 1 19 11 21 1 20 11 59 1 21 11 60 1 22 12 13 1 23 12 15 1 24 12 18 1 25 13 14 1 26 13 39 1 27 13 40 1 28 14 16 1 29 14 41 1 30 15 17 1 31 15 42 1 32 15 43 1 33 16 17 ar 34 16 23 ar 35 17 24 ar 36 18 28 1 37 18 44 1 38 19 20 1 39 19 45 1 40 20 21 1 41 20 46 1 42 20 47 1 43 21 22 1 44 21 48 1 45 22 25 1 46 22 49 1 47 23 26 ar 48 24 27 ar 49 25 29 1 50 25 50 1 51 26 27 ar 52 26 30 1 53 27 31 1 54 28 52 1 55 28 53 1 56 28 54 1 57 29 56 1 58 29 57 1 59 29 58 1 60 30 32 1 61 31 33 1 62 32 33 ar 63 32 34 ar 64 33 35 ar 65 34 36 ar 66 35 37 ar 67 35 64 1 68 36 37 ar 69 36 65 1 70 37 66 1 71 38 67 1 72 38 68 1 73 38 69 1