@MOLECULE (16alpha,17beta)-16,17-dihydroxyestra-1(10),2,4-trien-3-yl beta-d-glucopyranosiduronic acid 33 36 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 7.9446 -1.0735 -1.2530 O.2 1 UNL1 -0.3752 2 O 7.8834 1.5734 -0.2041 O.2 1 UNL1 -0.3122 3 O -2.8399 -1.4112 1.3260 O.3 1 UNL1 -0.1590 4 O -5.0408 -0.8577 1.2243 O.2 1 UNL1 -0.1543 5 O -2.1452 1.2203 0.2306 O.3 1 UNL1 -0.1257 6 O -4.2694 2.8749 -0.2568 O.2 1 UNL1 -0.2818 7 O -6.8360 1.7726 -0.2255 O.2 1 UNL1 -0.2326 8 O -6.5312 -2.8817 -2.4185 O.2 1 UNL1 -0.2847 9 O -5.5329 -1.0373 -1.3878 O.2 1 UNL1 -0.3986 10 C 6.2374 -1.5376 0.2857 C.2 1 UNL1 -0.6306 11 C 4.3770 1.5633 -0.5374 C.1 1 UNL1 0.0568 12 C 3.0070 1.3581 -0.3405 C.ar 1 UNL1 0.0620 13 C 2.6428 0.0623 0.1805 C.ar 1 UNL1 0.0730 14 C 7.0901 -0.6367 -0.5326 C.2 1 UNL1 0.4384 15 C 4.8896 -1.2064 0.3882 C.1 1 UNL1 0.0482 16 C 5.5767 1.3525 -0.5589 C.1 1 UNL1 -0.1859 17 C 6.9131 0.9005 -0.4269 C.2 1 UNL1 0.4008 18 C 3.7477 -0.7787 0.3704 C.1 1 UNL1 -0.1391 19 C 1.8670 2.1051 -0.5085 C.ar 1 UNL1 -0.0230 20 C 6.7584 -2.6473 0.8227 C.2 1 UNL1 0.5958 21 C 1.2962 -0.2987 0.4525 C.ar 1 UNL1 0.0227 22 C 0.6772 1.7867 -0.2733 C.ar 1 UNL1 -0.0235 23 C 0.1381 0.6252 0.2194 C.ar 1 UNL1 0.0345 24 C 0.7438 -1.4584 0.9490 C.ar 1 UNL1 0.0045 25 C -1.2080 0.2495 0.5014 C.ar 1 UNL1 0.0763 26 C -0.4384 -1.7903 1.1989 C.ar 1 UNL1 -0.0897 27 C -1.5547 -1.0090 1.0213 C.ar 1 UNL1 0.1255 28 C -3.7291 -0.4334 0.9759 C.2 1 UNL1 0.2025 29 C -3.4374 0.7747 0.4607 C.2 1 UNL1 -0.1646 30 C -4.4744 1.7487 0.0946 C.2 1 UNL1 0.3355 31 C -5.8971 1.1724 0.2152 C.2 1 UNL1 0.1300 32 C -6.0511 -0.1801 0.8951 C.3 1 UNL1 0.2852 33 C -6.0374 -1.9620 -1.9039 C.1 1 UNL1 0.6889 @BOND 1 8 33 2 2 33 9 2 3 1 14 2 4 16 11 3 5 16 17 1 6 11 12 1 7 14 17 1 8 14 10 1 9 19 12 ar 10 19 22 ar 11 17 2 2 12 12 13 ar 13 22 23 ar 14 6 30 2 15 7 31 2 16 30 31 1 17 30 29 1 18 13 18 1 19 13 21 ar 20 31 32 1 21 23 21 ar 22 23 25 ar 23 5 29 1 24 5 25 1 25 10 15 1 26 10 20 2 27 18 15 3 28 21 24 ar 29 29 28 2 30 25 27 ar 31 32 4 1 32 24 26 ar 33 28 4 1 34 28 3 1 35 27 26 ar 36 27 3 1