@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-[(trifluoroacetyl)amino]-alpha-l-lyxo-hexopyranoside 57 61 0 0 0 SMALL GASTEIGER @ATOM 1 F 4.7154 3.0430 -1.6517 F 1 UNL111111 -0.1989 2 F 6.7453 2.4986 -1.3968 F 1 UNL111111 -0.1696 3 F 5.9534 4.1792 -0.3732 F 1 UNL111111 -0.1677 4 O 0.8014 -1.3627 0.4501 O.3 1 UNL111111 -0.4203 5 O 2.8794 -2.1661 0.2069 O.3 1 UNL111111 -0.4623 6 O -0.3711 -3.9631 1.2038 O.3 1 UNL111111 -0.6132 7 O 6.1227 -0.9929 1.2447 O.3 1 UNL111111 -0.1822 8 O -0.6091 0.9098 -0.3552 O.3 1 UNL111111 -0.3844 9 O -4.5710 -2.5647 0.3073 O.3 1 UNL111111 -0.3171 10 O -0.5609 -5.9967 -1.6154 O.2 1 UNL111111 -0.3993 11 O -2.2088 2.8728 -0.1362 O.2 1 UNL111111 -0.3587 12 O -6.3256 -0.6543 0.0775 O.2 1 UNL111111 -0.3032 13 O 5.9760 2.2314 1.5108 O.2 1 UNL111111 -0.4076 14 O -3.5968 4.6875 0.0884 O.3 1 UNL111111 -0.3714 15 N 4.3654 1.1046 0.3404 N.am 1 UNL111111 -0.5849 16 C 0.0900 -1.7199 -0.7444 C.3 1 UNL111111 0.1448 17 C -0.6653 -4.0692 -0.1766 C.3 1 UNL111111 0.2737 18 C 0.2799 -3.2135 -1.0157 C.3 1 UNL111111 -0.3965 19 C -2.1335 -3.6748 -0.3863 C.3 1 UNL111111 -0.3320 20 C -1.3274 -1.3228 -0.4364 C.ar 1 UNL111111 -0.1855 21 C 2.1253 -0.9550 0.2334 C.3 1 UNL111111 0.3266 22 C -2.3238 -2.2061 -0.2843 C.ar 1 UNL111111 0.0164 23 C 4.0264 0.1933 1.4405 C.3 1 UNL111111 0.0759 24 C 2.5211 -0.1076 1.4482 C.3 1 UNL111111 -0.3875 25 C 4.8035 -1.1571 1.2704 C.3 1 UNL111111 -0.0144 26 C 4.2781 -1.9603 0.0468 C.3 1 UNL111111 -0.1794 27 C -1.5327 0.1353 -0.2991 C.ar 1 UNL111111 0.4697 28 C -0.4358 -5.5608 -0.4646 C.2 1 UNL111111 -0.0282 29 C -3.7220 -1.7577 0.0183 C.ar 1 UNL111111 0.4075 30 C -2.9380 0.6050 -0.1274 C.ar 1 UNL111111 -0.1531 31 C -3.9880 -0.3059 -0.0240 C.ar 1 UNL111111 -0.1658 32 C 4.6232 -1.3046 -1.2035 C.3 1 UNL111111 0.1713 33 C -0.0711 -6.3399 0.6464 C.3 1 UNL111111 0.4200 34 C -3.2111 1.9660 -0.0772 C.2 1 UNL111111 0.2445 35 C -5.4013 0.1208 0.0601 C.2 1 UNL111111 0.4248 36 C -4.5459 2.4859 0.0615 C.ar 1 UNL111111 -0.1779 37 C -5.6435 1.5859 0.1170 C.ar 1 UNL111111 -0.0930 38 C 5.3489 2.0459 0.5010 C.2 1 UNL111111 0.5136 39 C -4.6984 3.8964 0.1426 C.ar 1 UNL111111 0.1987 40 C -6.8634 2.2012 0.2352 C.ar 1 UNL111111 0.0682 41 C 5.6778 2.9340 -0.7397 C.3 1 UNL111111 0.4430 42 C -5.9878 4.3615 0.2748 C.ar 1 UNL111111 0.0013 43 C -6.9882 3.5116 0.3112 C.ar 1 UNL111111 0.0018 44 C -2.3799 4.1831 -0.0525 C.3 1 UNL111111 0.5598 45 H 0.4736 -1.1179 -1.6067 H 1 UNL111111 0.1476 46 H 1.3362 -3.4959 -0.8052 H 1 UNL111111 0.1895 47 H 0.1238 -3.4411 -2.0914 H 1 UNL111111 0.1853 48 H -2.4897 -4.0457 -1.3776 H 1 UNL111111 0.1949 49 H -2.7705 -4.2060 0.3632 H 1 UNL111111 0.1992 50 H 2.2431 -0.4348 -0.7425 H 1 UNL111111 0.1182 51 H 4.3423 0.6615 2.4154 H 1 UNL111111 0.1852 52 H 2.2375 -0.6397 2.3800 H 1 UNL111111 0.1838 53 H 1.9198 0.8263 1.4653 H 1 UNL111111 0.1909 54 H 4.6279 -1.7802 2.2075 H 1 UNL111111 0.2102 55 H 4.6576 -3.0163 0.0754 H 1 UNL111111 0.1898 56 H 3.8308 1.0125 -0.5128 H 1 UNL111111 0.3294 57 H 0.0800 -3.1108 1.4063 H 1 UNL111111 0.3683 @BOND 1 10 28 2 2 33 28 1 3 28 17 1 4 47 18 1 5 48 19 1 6 46 18 1 7 17 18 1 8 17 19 1 9 17 6 1 10 18 16 1 11 55 26 1 12 19 49 1 13 19 22 1 14 32 26 1 15 6 57 1 16 26 5 1 17 26 25 1 18 5 21 1 19 45 16 1 20 16 20 1 21 16 4 1 22 22 20 ar 23 22 29 ar 24 9 29 1 25 50 21 1 26 20 27 ar 27 7 25 1 28 21 4 1 29 21 24 1 30 25 54 1 31 25 23 1 32 29 31 ar 33 56 15 1 34 27 8 1 35 27 30 ar 36 31 30 ar 37 31 35 1 38 24 23 1 39 24 52 1 40 24 53 1 41 23 15 1 42 23 51 1 43 15 38 am 44 1 41 1 45 2 41 1 46 12 35 2 47 30 34 1 48 35 37 1 49 38 41 1 50 38 13 2 51 41 3 1 52 34 11 2 53 34 36 1 54 37 36 ar 55 37 40 ar 56 36 39 ar 57 40 43 ar 58 39 14 1 59 39 42 ar 60 43 42 ar 61 14 44 1