@MOLECULE (1s,3r,5z,7e,23r)-1,3,23,25-tetrahydroxy-9,10-secocholesta-5,7,10-trien-24-one 34 35 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 7.2577 0.6845 0.4421 O.2 1 UNL1 -0.2117 2 O 3.9796 3.5887 -0.1317 O.2 1 UNL1 -0.4403 3 O 4.0891 0.4296 1.7488 O.2 2 UNL2 -0.2358 4 O -7.8685 2.6338 0.4782 O.2 1 UNL1 -0.1820 5 O -6.1240 0.2774 -1.9234 O.2 1 UNL1 -0.4851 6 C -0.1451 -3.6788 0.1873 C.ar 1 UNL1 -0.6826 7 C 3.2368 -0.6604 -1.3150 C.3 1 UNL1 0.0640 8 C -0.0273 -2.2225 0.0564 C.ar 1 UNL1 0.0969 9 C 2.1520 -1.1708 -0.8728 C.1 1 UNL1 -0.0991 10 C 1.0786 -1.6844 -0.4226 C.1 1 UNL1 -0.0777 11 C -1.3443 -4.4516 0.6857 C.ar 1 UNL1 0.2444 12 C 4.3352 -0.1498 -1.7639 C.3 1 UNL1 -0.2126 13 C -1.1641 -1.3084 0.4649 C.ar 1 UNL1 -0.0138 14 C 0.7633 -4.6093 -0.1010 C.3 1 UNL1 0.5664 15 C -2.2285 -3.4015 0.9731 C.ar 1 UNL1 -0.1979 16 C -2.1944 -2.1673 0.9002 C.ar 1 UNL1 -0.0349 17 C 5.6407 0.3235 -1.3715 C.2 1 UNL1 -0.6770 18 C 5.2666 0.3630 -2.7721 C.3 1 UNL1 0.4767 19 C -1.1309 0.0339 0.4217 C.3 1 UNL1 -0.0949 20 C 6.4867 0.5077 -0.3982 C.1 1 UNL1 0.6241 21 C -2.2403 0.8618 0.8687 C.2 1 UNL1 -0.0995 22 C 5.0833 3.8446 -0.2533 C.2 1 UNL1 0.4402 23 C -3.4449 0.9318 0.2861 C.2 1 UNL1 -0.0702 24 C 2.7362 0.9008 1.8394 C.2 2 UNL2 -0.7294 25 C -4.5172 1.7772 0.8677 C.3 1 UNL1 0.1853 26 C -3.9399 0.2588 -0.9194 C.2 1 UNL1 -0.6716 27 C -6.8548 2.1342 0.2698 C.1 1 UNL1 0.6445 28 C -5.3619 0.6377 -1.0673 C.2 1 UNL1 0.6136 29 C 3.4383 0.0009 2.7864 C.3 2 UNL2 0.5172 30 C 1.7409 1.5755 1.3847 C.2 2 UNL2 0.4483 31 C -5.6736 1.5660 0.0464 C.2 1 UNL1 -0.6213 32 C -3.2782 -0.5273 -1.7536 C.2 1 UNL1 0.5298 33 H -0.2402 0.5820 0.0773 H 1 UNL1 0.1931 34 H -2.0246 1.4699 1.7623 H 1 UNL1 0.1930 @BOND 1 18 12 1 2 18 17 1 3 5 28 2 4 12 17 1 5 12 7 1 6 32 26 2 7 17 20 2 8 7 9 1 9 28 26 1 10 28 31 1 11 26 23 1 12 9 10 3 13 10 8 1 14 20 1 2 15 22 2 2 16 14 6 1 17 31 27 2 18 31 25 1 19 8 6 ar 20 8 13 ar 21 33 19 1 22 6 11 ar 23 27 4 2 24 23 25 1 25 23 21 2 26 19 13 1 27 19 21 1 28 13 16 ar 29 11 15 ar 30 21 34 1 31 16 15 ar 32 30 24 2 33 3 24 1 34 3 29 1 35 24 29 1