HMDB0033614 RDKit 3D Licoagrone 97102 0 0 0 0 0 0 0 0999 V2000 -7.2565 6.3609 -0.4833 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8366 5.3008 -1.4361 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8792 4.7952 -2.3764 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5947 4.8177 -1.4636 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5066 5.2556 -0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9235 4.1250 0.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7051 3.5915 -0.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0869 2.5474 0.5864 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7927 2.0678 0.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2213 2.7154 -0.7744 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0106 0.9366 0.6935 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1745 1.4730 1.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 2.8637 1.5823 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4152 3.3627 2.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5600 4.7384 2.3857 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3533 2.5007 2.7711 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4360 3.0372 3.4344 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1868 1.1266 2.6196 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0841 0.6052 1.9447 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9416 -0.8206 1.8329 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0291 -1.5842 1.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3396 -1.1674 1.4333 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1940 -2.2566 1.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4607 -3.4241 1.2141 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1745 -4.5927 1.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5345 -4.5828 0.8014 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2490 -3.4007 0.7969 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6109 -3.4796 0.5846 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5630 -2.2088 1.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2993 -0.9482 1.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2147 -0.0545 -0.1235 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6162 -0.1438 -1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7737 1.0439 -2.2299 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8139 -1.2848 -1.7143 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0768 -3.0472 1.4579 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1124 -3.8354 1.5339 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7714 0.1039 1.5131 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4387 -0.8219 0.6673 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5727 -1.5632 0.8747 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0123 -2.4086 -0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1490 -3.1551 0.0501 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3331 -2.5015 -1.3411 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7933 -3.3866 -2.4291 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4620 -4.8105 -2.1542 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3381 -5.7828 -2.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7794 -5.5433 -2.3159 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9064 -7.1753 -1.8259 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1925 -1.7363 -1.5095 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7274 -0.8961 -0.5307 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4031 0.0127 -0.4047 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4387 -0.0265 -1.0836 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7975 2.0778 1.6677 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0394 2.6131 2.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6034 3.6349 1.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8102 4.1471 1.6724 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1726 6.8920 -0.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4472 7.1140 -0.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5447 5.8866 0.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9174 5.4048 -3.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8429 4.7957 -1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6390 3.7305 -2.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3822 4.0368 -2.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6649 5.7129 -1.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8481 5.9903 0.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1787 3.9829 -0.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6025 3.5472 1.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8709 5.3706 2.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5332 4.0348 3.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9207 0.4583 3.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 -1.3746 1.9305 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5903 -5.5032 1.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0381 -5.5173 0.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2728 -2.7496 0.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3878 -1.1163 1.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9431 -0.3295 1.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7959 0.9211 0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9442 1.9592 -1.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8692 1.1195 -2.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6080 0.7999 -2.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2303 -2.2786 -1.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7550 -1.2772 -1.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7762 -1.2404 -2.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1281 -1.5135 1.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6399 -3.0809 0.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3113 -3.0760 -3.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8889 -3.3007 -2.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4018 -5.0513 -1.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9635 -4.9072 -3.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2994 -5.1406 -1.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3302 -6.4945 -2.5473 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0896 -7.7400 -2.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8156 -7.1956 -1.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4583 -7.6348 -0.9919 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 -1.8072 -2.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4361 1.2921 2.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5560 2.1946 2.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3922 3.8691 2.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 27 29 2 0 29 30 1 0 30 31 1 0 31 32 2 3 32 33 1 0 32 34 1 0 24 35 1 0 35 36 2 0 11 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 40 42 2 0 42 43 1 0 43 44 1 0 44 45 2 3 45 46 1 0 45 47 1 0 42 48 1 0 48 49 2 0 49 50 1 0 50 51 2 0 8 52 2 0 52 53 1 0 53 54 2 0 54 55 1 0 54 6 1 0 50 11 1 0 19 12 1 0 35 21 1 0 49 38 1 0 29 23 1 0 1 56 1 0 1 57 1 0 1 58 1 0 3 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 7 65 1 0 13 66 1 0 15 67 1 0 17 68 1 0 18 69 1 0 20 70 1 0 25 71 1 0 26 72 1 0 28 73 1 0 30 74 1 0 30 75 1 0 31 76 1 0 33 77 1 0 33 78 1 0 33 79 1 0 34 80 1 0 34 81 1 0 34 82 1 0 39 83 1 0 41 84 1 0 43 85 1 0 43 86 1 0 44 87 1 0 46 88 1 0 46 89 1 0 46 90 1 0 47 91 1 0 47 92 1 0 47 93 1 0 48 94 1 0 52 95 1 0 53 96 1 0 55 97 1 0 M END