HMDB0072843 RDKit 3D MG(0:0/a-13:0/0:0)[rac] 52 51 0 0 0 0 0 0 0 0999 V2000 -5.9004 0.5709 0.4878 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6567 1.1396 -0.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4295 0.8850 0.8089 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2795 1.4810 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4288 -0.5398 1.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4091 -1.0883 2.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9946 -1.2902 1.7453 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6079 -2.3064 0.7573 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9699 -2.4028 -0.6144 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7304 -1.4302 -1.6776 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6602 -1.0184 -1.9971 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3262 -0.2817 -0.9066 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 0.1128 -1.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1341 -0.2237 -2.4142 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5745 0.8047 -0.4493 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8959 1.1775 -0.7915 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9089 0.5225 0.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 0.9610 1.4254 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9653 2.6862 -0.6979 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2204 3.1827 -1.0123 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9145 0.6939 1.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7816 1.1430 0.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0281 -0.4889 0.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4299 0.6831 -1.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7248 2.2224 -0.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7115 1.5286 1.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2311 2.5711 0.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2941 1.0574 0.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4863 1.5205 -1.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5379 -1.1577 0.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4597 -0.7323 1.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8124 -2.1198 2.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4052 -0.4803 3.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4296 -0.3339 1.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5422 -1.6792 2.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5009 -2.5733 0.8932 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0289 -3.3463 1.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4936 -3.4391 -0.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0927 -2.6777 -0.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3967 -0.5424 -1.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1996 -1.8478 -2.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6732 -0.4182 -2.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2381 -1.9598 -2.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2803 -0.7151 0.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8062 0.7312 -0.8272 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1119 0.8194 -1.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9314 0.8936 -0.0828 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8662 -0.5646 0.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3843 0.8470 2.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6637 2.9691 0.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1899 3.0907 -1.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7388 3.2016 -0.1689 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 3 5 1 0 5 6 1 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 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 16 19 1 0 19 20 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 9 38 1 0 9 39 1 0 10 40 1 0 10 41 1 0 11 42 1 0 11 43 1 0 12 44 1 0 12 45 1 0 16 46 1 0 17 47 1 0 17 48 1 0 18 49 1 0 19 50 1 0 19 51 1 0 20 52 1 0 M END