HMDB0304481 RDKit 3D secologanate 48 49 0 0 0 0 0 0 0 0999 V2000 1.3234 3.5220 -1.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6161 2.2969 -1.4157 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4949 1.1107 -0.4871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4729 0.1489 -1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4532 -0.2199 -0.0207 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7207 0.1635 -0.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5906 -0.9212 -0.4652 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5922 -1.6573 0.6938 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3532 -2.9528 0.4928 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6739 -2.7210 0.1321 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3347 -0.8461 1.7555 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1933 -1.4808 3.0015 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7723 0.5304 1.8831 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7179 1.3318 2.5204 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3510 1.1573 0.5927 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4419 1.7305 -0.0852 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0789 -1.0326 -1.4768 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2559 -0.9700 -2.1762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2285 -0.1938 -1.6741 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4970 -0.0765 -2.3513 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7384 -0.6847 -3.4185 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4914 0.7254 -1.8242 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9013 0.5082 -0.4161 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9312 -0.5012 0.7064 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2879 -1.1316 0.8297 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2068 -0.6003 1.4239 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4149 4.3476 -1.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9884 3.6751 0.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9442 2.1451 -2.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2546 1.5252 0.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1008 0.6620 -1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7477 0.6841 -1.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5855 -1.9069 1.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8690 -3.4920 -0.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2734 -3.6108 1.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1935 -2.6947 0.9817 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4027 -0.8886 1.4971 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9584 -1.2015 3.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8714 0.4618 2.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2306 1.9006 1.9047 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5701 1.9420 0.8051 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2277 1.9210 -1.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4787 -1.4899 -3.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6218 0.8978 -0.8362 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5985 1.3126 -0.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7139 -0.0157 1.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2129 -1.3115 0.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4732 -2.0987 0.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 8 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 4 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 22 1 0 19 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 23 3 1 0 15 6 1 0 1 27 1 0 1 28 1 0 2 29 1 0 3 30 1 0 4 31 1 0 6 32 1 0 8 33 1 0 9 34 1 0 9 35 1 0 10 36 1 0 11 37 1 0 12 38 1 0 13 39 1 0 14 40 1 0 15 41 1 0 16 42 1 0 18 43 1 0 22 44 1 0 23 45 1 0 24 46 1 0 24 47 1 0 25 48 1 0 M END