HMDB0014624 RDKit 3D Raloxifene 61 65 0 0 0 0 0 0 0 0999 V2000 -4.2243 -0.4703 -2.2862 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4007 -0.0997 -1.4336 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9934 -0.4522 -1.4673 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0899 0.3157 -0.7537 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 -0.0231 -0.7658 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7198 -1.1028 -1.4711 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0545 -1.4080 -1.4618 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0187 -0.6513 -0.7516 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3685 -1.3114 -0.9898 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4319 -0.6669 -0.3490 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -0.6971 1.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8601 -0.2320 1.5408 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3399 1.0214 0.8956 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1305 1.0613 -0.5815 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5666 -0.2592 -1.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1587 -1.8721 -2.1827 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5143 -1.5372 -2.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9426 0.7651 -0.3231 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4689 0.1931 0.7856 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6604 -1.2033 1.2223 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2760 -1.3923 2.4669 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4897 -2.6631 2.9738 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1047 -3.7814 2.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3090 -5.0677 2.7622 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5041 -3.6104 1.0584 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2914 -2.3176 0.5517 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9306 1.5857 1.7250 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4340 2.8157 0.6677 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4700 4.2155 0.7277 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9786 4.9858 -0.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9703 6.3659 -0.3299 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4628 4.2698 -1.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4226 2.9195 -1.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9256 2.1274 -0.3818 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4414 1.1728 -0.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9633 0.5899 -0.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0648 0.3998 -1.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7566 -0.7047 0.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5295 -1.3952 -2.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 -2.3497 -0.5533 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3950 -1.7591 1.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7067 -0.1339 1.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5838 -1.0681 1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7101 -0.0049 2.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4374 1.0993 1.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9108 1.9442 1.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4711 1.9030 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1040 1.2077 -1.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4190 -0.9905 -0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3396 -0.2169 -2.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1439 -2.7461 -2.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2034 -2.1434 -2.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5793 -0.5114 3.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9618 -2.7901 3.9271 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1630 -5.5701 2.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1794 -4.4413 0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8191 -2.2270 -0.4028 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8828 4.7024 1.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7485 6.8829 -0.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0609 4.8523 -2.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9938 2.4753 -2.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 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 6 16 1 0 16 17 2 0 2 18 1 0 18 19 2 0 19 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 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 30 32 2 0 32 33 1 0 33 34 2 0 17 3 1 0 34 18 1 0 15 10 1 0 26 20 1 0 34 28 1 0 4 35 1 0 5 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 9 40 1 0 11 41 1 0 11 42 1 0 12 43 1 0 12 44 1 0 13 45 1 0 13 46 1 0 14 47 1 0 14 48 1 0 15 49 1 0 15 50 1 0 16 51 1 0 17 52 1 0 21 53 1 0 22 54 1 0 24 55 1 0 25 56 1 0 26 57 1 0 29 58 1 0 31 59 1 0 32 60 1 0 33 61 1 0 M END