HMDB0060981 RDKit 3D para-hydroxyrosiglitazone 45 47 0 0 0 0 0 0 0 0999 V2000 2.4013 -1.1122 3.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4545 -0.2923 1.9016 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2369 0.3026 1.3966 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4705 1.1224 0.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3097 1.6824 -0.3062 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8188 1.1367 -0.8109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0426 -0.1899 -0.9907 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2199 -0.7049 -1.5087 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2281 0.1629 -1.8669 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4901 -0.3560 -2.4201 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5117 -0.6427 -1.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9113 0.8867 -0.4091 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.8036 0.4576 0.9618 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3254 1.2543 1.8105 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6508 -0.9253 0.8044 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9691 -1.4726 -0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8358 -2.8679 -0.4692 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0182 1.5268 -1.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8501 2.0106 -1.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6702 -0.0604 1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1375 -0.8696 0.2208 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3313 -0.6115 -0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0814 0.4722 -0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2842 0.7703 -0.6229 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5924 1.2527 0.9838 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4275 0.9916 1.5886 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0313 -2.0222 2.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7815 -0.4884 3.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3463 -1.3744 3.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4906 -0.4927 1.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9057 1.0291 2.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2046 1.9216 0.4493 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9932 0.5031 -0.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2776 -0.9435 -0.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3582 -1.7846 -1.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2717 -1.3270 -2.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9127 0.3007 -3.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4431 -1.0025 -1.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2907 -3.5393 0.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8038 2.1858 -1.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7341 3.0650 -1.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5596 -1.7200 -0.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7220 -1.2354 -1.2113 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1716 0.4238 -0.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1636 2.1259 1.3170 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 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 2 0 16 17 1 0 9 18 1 0 18 19 2 0 2 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 2 0 19 6 1 0 26 20 1 0 16 11 1 0 1 27 1 0 1 28 1 0 1 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 7 34 1 0 8 35 1 0 10 36 1 0 10 37 1 0 11 38 1 0 17 39 1 0 18 40 1 0 19 41 1 0 21 42 1 0 22 43 1 0 24 44 1 0 25 45 1 0 M END