HMDB0072342 RDKit 3D TG(10:0/i-22:0/i-15:0) 152151 0 0 0 0 0 0 0 0999 V2000 -7.0568 -2.0657 -0.2114 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4358 -3.2715 0.4586 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9520 -3.2380 0.2043 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2206 -4.4241 0.8235 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4107 -4.4509 2.2919 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7772 -5.5438 3.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3109 -5.6897 3.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5182 -4.5226 3.5275 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8436 -4.1843 4.9524 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -3.0355 5.4867 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1145 -3.2606 6.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2718 -1.7422 5.1387 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6164 -0.5899 5.5667 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8884 -0.5991 5.3131 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1301 -0.9186 3.9029 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5742 -0.0479 2.9981 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7986 1.2610 2.7664 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6571 1.8078 3.5010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 2.0746 1.7235 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2815 1.6921 1.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8579 2.5646 0.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0678 2.3594 -0.9844 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6310 3.2243 -2.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8940 3.0351 -3.3832 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 3.3890 -3.3007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 3.1374 -4.6776 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6669 3.4406 -4.7186 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2354 3.1693 -6.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6996 3.4656 -6.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2991 3.1989 -7.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7773 3.5059 -7.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1198 1.7565 -7.9414 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 0.6269 5.7145 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3272 0.7314 6.7903 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5341 -0.4596 7.3126 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0019 1.8289 7.4297 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8673 3.2148 7.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2759 3.8816 5.8508 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7031 3.9544 5.4779 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5306 2.8167 5.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2729 1.9595 3.9729 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3825 2.7238 2.6808 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2437 1.8146 1.5139 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9633 1.0639 1.3801 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9856 0.1530 0.1719 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7310 -0.6533 -0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8598 -1.5697 -1.2095 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6896 -2.4417 -1.4532 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3855 -1.7547 -1.7561 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7149 -2.7613 -1.9598 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0470 -2.2276 -2.2909 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1590 -1.4433 -3.5634 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6105 -1.0407 -3.7027 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9311 -0.2688 -4.9338 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2173 1.0266 -5.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7499 -1.0842 -6.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1475 -2.2238 -0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5200 -1.8761 -1.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8828 -1.1772 0.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5758 -3.0993 1.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8888 -4.2219 0.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7171 -3.2021 -0.8717 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5808 -2.2700 0.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6368 -5.3200 0.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1694 -4.3453 0.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1860 -3.4258 2.6921 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5263 -4.5454 2.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1288 -5.4870 4.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2142 -6.5126 2.6778 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0464 -6.5556 3.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 -5.9680 2.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5875 -3.6153 2.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4432 -4.8391 3.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7091 -5.0236 5.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9291 -3.8933 5.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0873 0.3409 5.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7841 -0.5316 6.6847 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2458 -1.4331 6.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2626 -0.9848 3.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7218 -1.9673 3.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8021 2.0624 0.8531 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 3.1292 2.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9751 1.7924 2.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2723 0.6571 0.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7214 3.6031 0.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9127 2.2894 0.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0101 2.4598 -0.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3106 1.2976 -1.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6945 4.2892 -1.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6735 2.8869 -2.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 3.6329 -4.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9099 1.9723 -3.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7182 4.4705 -3.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0805 2.7890 -2.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6463 3.6721 -5.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0735 2.0543 -4.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1891 2.8010 -3.9531 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9172 4.4820 -4.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9687 2.1704 -6.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7191 3.8788 -6.7989 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2905 2.8800 -5.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8823 4.5314 -5.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8393 3.8444 -8.2928 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2766 3.2945 -6.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2499 2.8335 -8.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9860 4.5466 -7.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8319 1.4808 -8.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0934 1.6545 -8.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2560 1.0892 -7.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6103 1.7751 8.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0911 1.6098 7.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7648 3.5074 7.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3814 3.8097 7.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9952 5.0035 6.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5926 3.6507 5.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7533 4.7775 4.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2019 4.5118 6.3544 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6143 2.1151 6.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6306 3.1386 5.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0711 1.1895 3.9534 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3175 1.4008 3.9986 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6132 3.5143 2.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3575 3.2349 2.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0586 1.0492 1.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3031 2.4720 0.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7675 0.4453 2.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1506 1.8386 1.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8900 -0.4689 0.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0211 0.8500 -0.7152 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5549 -1.2226 0.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8381 -0.0232 -0.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7291 -2.2431 -0.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1825 -1.0081 -2.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5699 -3.0847 -0.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8515 -3.1846 -2.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 -1.1225 -0.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5130 -1.1916 -2.7121 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8123 -3.3758 -1.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4351 -3.4967 -2.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 -1.6470 -1.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7345 -3.1155 -2.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5019 -0.5495 -3.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8858 -2.0774 -4.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1853 -2.0013 -3.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9830 -0.4879 -2.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0257 -0.0359 -4.8919 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3364 1.6860 -4.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1779 0.9285 -5.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7488 1.5825 -5.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6800 -1.1305 -6.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2555 -0.5275 -7.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2325 -2.0758 -6.1323 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 14 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 6 69 1 0 7 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 9 75 1 0 13 76 1 0 13 77 1 0 14 78 1 1 15 79 1 0 15 80 1 0 19 81 1 0 19 82 1 0 20 83 1 0 20 84 1 0 21 85 1 0 21 86 1 0 22 87 1 0 22 88 1 0 23 89 1 0 23 90 1 0 24 91 1 0 24 92 1 0 25 93 1 0 25 94 1 0 26 95 1 0 26 96 1 0 27 97 1 0 27 98 1 0 28 99 1 0 28100 1 0 29101 1 0 29102 1 0 30103 1 0 31104 1 0 31105 1 0 31106 1 0 32107 1 0 32108 1 0 32109 1 0 36110 1 0 36111 1 0 37112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 47132 1 0 47133 1 0 48134 1 0 48135 1 0 49136 1 0 49137 1 0 50138 1 0 50139 1 0 51140 1 0 51141 1 0 52142 1 0 52143 1 0 53144 1 0 53145 1 0 54146 1 0 55147 1 0 55148 1 0 55149 1 0 56150 1 0 56151 1 0 56152 1 0 M END