HMDB0252730 RDKit 3D Gitoxigenin 62 66 0 0 0 0 0 0 0 0999 V2000 -3.0288 0.8662 1.7901 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3168 0.2167 0.6005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4664 1.1234 -0.5591 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9168 1.5235 -0.7319 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9189 0.5497 -0.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9791 0.5348 -1.2014 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4881 -0.8443 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0455 -1.0653 0.2573 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4017 -1.7300 -0.9308 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 -1.6330 -0.9974 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2853 -1.2629 0.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 -0.1299 1.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1364 1.1398 1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9459 1.2127 0.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8850 0.0573 0.4271 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3547 0.1081 1.8634 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9985 0.1087 -0.5628 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1842 0.8484 -0.2471 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4124 0.3746 -0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3529 1.4294 0.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6161 1.2760 0.3149 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6429 2.5885 0.3091 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2935 2.2925 0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2229 -1.3730 -0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8919 -1.4846 -2.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7364 -1.7074 -1.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1838 -1.2703 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8075 -2.1928 1.1289 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4225 1.8535 1.5813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7873 0.1457 2.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3141 1.0081 2.6574 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8907 2.0527 -0.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2013 0.6298 -1.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0918 1.8007 -1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0841 2.5184 -0.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4423 0.9348 0.6753 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7261 0.0141 -0.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8076 -1.4948 -0.9308 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0738 -1.2803 0.8025 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8859 -1.7516 1.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8447 -1.2801 -1.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7845 -2.7934 -0.9309 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 -2.6783 -1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5359 -1.0349 -1.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5448 -2.2032 0.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0623 -0.4286 2.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4096 1.2451 2.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7658 2.0536 1.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5484 1.0049 -0.9105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4904 2.1469 0.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3452 -0.4389 1.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7075 -0.5769 2.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4313 1.1064 2.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5555 0.4746 -1.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -0.6383 -0.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 2.9033 -0.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6965 2.6109 0.9414 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6221 -1.9198 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4259 -0.9161 -2.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5852 -2.7577 -1.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4844 -1.0065 -1.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1383 -2.8607 1.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 17 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 27 28 1 0 8 2 1 0 27 11 1 0 12 2 1 0 27 15 1 0 23 18 1 0 1 29 1 0 1 30 1 0 1 31 1 0 3 32 1 0 3 33 1 0 4 34 1 0 4 35 1 0 5 36 1 0 6 37 1 0 7 38 1 0 7 39 1 0 8 40 1 0 9 41 1 0 9 42 1 0 10 43 1 0 10 44 1 0 11 45 1 0 12 46 1 0 13 47 1 0 13 48 1 0 14 49 1 0 14 50 1 0 16 51 1 0 16 52 1 0 16 53 1 0 17 54 1 0 19 55 1 0 23 56 1 0 23 57 1 0 24 58 1 0 25 59 1 0 26 60 1 0 26 61 1 0 28 62 1 0 M END