@MOLECULE (8alpha,9beta,14beta)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl d-glucopyranoside 37 44 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.2009 -1.0091 -0.0388 C.3 1 UNL1 -0.1715 2 C -5.2512 0.1331 -0.0300 C.ar 1 UNL1 -0.0790 3 C 0.1854 -1.2879 -0.0250 C.ar 1 UNL1 0.2958 4 C -3.5849 -1.7065 -0.1618 C.ar 1 UNL1 -0.0218 5 C -2.2384 -2.0342 -0.1560 C.ar 1 UNL1 0.2028 6 C -3.9337 -0.2978 -0.0421 C.ar 1 UNL1 -0.0400 7 C 5.3690 1.9456 0.2752 C.2 1 UNL1 0.2527 8 C 6.6032 1.7687 -0.5971 C.2 1 UNL1 0.2438 9 C -6.4748 -0.7434 -0.1335 C.ar 1 UNL1 0.1662 10 C 4.4825 0.7076 0.1842 C.3 1 UNL1 0.4225 11 O 4.9867 -0.5098 -0.0539 O.2 1 UNL1 -0.0782 12 C 7.2882 0.4340 -0.3242 C.2 1 UNL1 0.3818 13 C -1.5940 0.3754 0.0704 C.ar 1 UNL1 -0.2714 14 C -2.9220 0.7105 0.0712 C.ar 1 UNL1 0.2072 15 C -5.6382 1.5254 0.0927 C.2 1 UNL1 -0.2779 16 C 6.3761 -0.6194 0.0684 C.2 1 UNL1 -0.3762 17 C 1.1737 -0.3029 0.0807 C.ar 1 UNL1 -0.4472 18 C -7.5165 0.1447 -0.0681 C.3 1 UNL1 -0.3525 19 C -0.2849 -3.4167 -0.2209 C.ar 1 UNL1 0.0048 20 C -1.5159 -3.2170 -0.2389 C.ar 1 UNL1 -0.0448 21 C -4.7690 -2.4227 -0.2542 C.ar 1 UNL1 -0.0859 22 C -7.0075 1.5113 0.0686 C.3 1 UNL1 -0.0896 23 O 3.2312 0.8279 0.2211 O.3 1 UNL1 -0.2245 24 C -8.4340 1.2209 0.0196 C.2 1 UNL1 0.5414 25 C -5.9537 -2.0127 -0.2408 C.ar 1 UNL1 -0.0109 26 C 2.5155 -0.5106 0.1030 C.3 1 UNL1 0.2248 27 O 0.6808 1.0451 0.1726 O.2 1 UNL1 -0.1057 28 O -9.5393 1.6469 0.0440 O.2 1 UNL1 -0.3800 29 O 5.1123 2.8709 0.9741 O.2 1 UNL1 -0.1662 30 O 0.7399 -2.5909 -0.1204 O.2 1 UNL1 -0.0356 31 O 6.9613 2.5732 -1.3964 O.2 1 UNL1 -0.1913 32 O 8.4812 0.3142 -0.3878 O.2 1 UNL1 -0.3280 33 C -0.5275 1.3463 0.1717 C.ar 1 UNL1 0.2452 34 O -3.3322 2.0270 0.1816 O.3 1 UNL1 -0.2015 35 C -4.5559 2.4564 0.1982 C.2 1 UNL1 0.3051 36 C 6.7884 -1.8294 0.4919 C.1 1 UNL1 0.5619 37 O 7.1669 -2.8515 0.8425 O.2 1 UNL1 -0.0764 @BOND 1 31 8 2 2 8 12 1 3 8 7 1 4 32 12 2 5 12 16 1 6 21 25 ar 7 21 4 ar 8 25 9 ar 9 20 19 ar 10 20 5 ar 11 19 30 ar 12 4 5 ar 13 4 6 ar 14 5 1 1 15 9 18 1 16 9 2 ar 17 30 3 ar 18 18 24 1 19 18 22 1 20 11 16 1 21 11 10 1 22 6 2 ar 23 6 14 ar 24 1 3 1 25 1 13 1 26 2 15 1 27 3 17 ar 28 24 28 2 29 24 22 1 30 16 36 2 31 22 15 1 32 13 14 ar 33 13 33 ar 34 14 34 1 35 17 26 1 36 17 27 ar 37 15 35 2 38 26 23 1 39 33 27 ar 40 34 35 1 41 10 23 1 42 10 7 1 43 7 29 2 44 36 37 2