HMDB0061105 RDKit 3D ortho-hydroxyrosiglitazone 45 47 0 0 0 0 0 0 0 0999 V2000 4.0523 -1.4020 1.6489 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8646 -0.6486 0.3819 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8358 -1.1396 -0.4828 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4654 -0.8838 0.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4585 -1.3690 -0.7114 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8796 -1.2385 -0.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9110 -1.6823 -1.1235 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2473 -1.5461 -0.7384 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5680 -0.9488 0.4685 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9615 -0.7808 0.8856 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5187 0.5612 0.4957 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2469 0.6866 1.0380 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.9093 0.9930 -0.5929 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1070 1.1872 -0.9147 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7910 0.9665 -1.4246 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6612 0.7684 -0.9552 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4808 0.7333 -1.7656 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5153 -0.5128 1.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2119 -0.6433 0.8677 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7138 0.4578 0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8024 0.6377 0.9673 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6710 1.6321 0.8338 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5059 2.5533 -0.1604 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4416 2.4511 -1.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5554 1.3848 -0.8367 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4899 1.2927 -1.7040 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9132 -2.4856 1.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2670 -1.0179 2.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0710 -1.2456 2.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9143 -2.2819 -0.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8445 -0.7964 -1.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3342 0.1920 0.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4634 -1.4363 1.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6781 -2.1528 -2.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0148 -1.9248 -1.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9909 -0.8381 1.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6258 -1.5512 0.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9889 1.4004 0.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5091 0.7492 -2.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7464 -0.0461 2.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4107 -0.2766 1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5037 1.7160 1.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2113 3.3890 -0.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3081 3.1758 -1.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2870 1.9207 -2.4624 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 24 25 2 0 25 26 1 0 19 6 1 0 25 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 22 42 1 0 23 43 1 0 24 44 1 0 26 45 1 0 M END