HMDB0007817 RDKit 3D DG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 138137 0 0 0 0 0 0 0 0999 V2000 -15.7682 -1.5024 1.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6263 -0.4655 0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9836 0.5661 1.3657 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6816 1.8098 1.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9136 2.4430 0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7111 3.1154 0.6558 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4852 2.9486 0.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8551 2.0800 -0.6632 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5973 1.2089 -1.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5018 -0.0634 -1.6076 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5874 -0.9265 -0.8489 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7698 -1.7749 -1.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5069 -1.8757 -1.8503 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4092 -1.2272 -1.1775 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5752 -0.2043 -0.1885 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2013 -0.3746 1.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6125 -1.5825 1.5989 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2663 -1.6638 2.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3325 -0.7640 2.1458 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3701 0.6317 1.6962 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3315 0.8477 0.5712 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0047 0.4544 1.1051 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5506 0.8255 2.2156 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2449 -0.3699 0.3307 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 -0.9190 0.5405 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1895 -2.4347 0.7923 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0096 -2.5190 1.9243 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0523 -0.6970 -0.5738 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7722 0.6524 -0.7803 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1565 1.4618 0.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1662 0.9668 1.2657 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1438 2.9193 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6973 2.9738 -0.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1145 2.0256 -1.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5915 1.8569 -1.3889 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2244 1.3604 -0.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7173 1.0839 -0.2638 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9168 -0.0088 -1.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1828 -1.2404 -0.9293 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6164 -1.9582 0.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8634 -2.7086 0.3062 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1934 -2.1655 0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7302 -1.0788 0.8809 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1757 -0.7770 0.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2009 -0.2665 -0.9391 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5569 0.0018 -1.4803 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4926 -1.1042 -1.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9422 -1.9884 -0.6375 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6453 -1.3671 0.5234 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9064 -0.7163 -0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6715 -0.0958 1.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9305 0.5325 0.6197 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6933 1.6215 -0.3914 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8678 2.7386 0.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3061 -1.9554 1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8165 -1.0373 1.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5192 -2.3223 0.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0982 -0.1324 -0.5098 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6074 -0.9564 0.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5715 0.1880 2.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9978 2.5077 2.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8196 1.7848 -0.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6056 3.2804 -0.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8988 3.9078 1.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7553 3.6323 0.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2181 2.7686 -1.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0411 1.5300 -0.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3121 1.6938 -2.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1643 -0.6111 -2.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2693 -1.6377 -0.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9859 -0.4537 -0.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3789 -2.4364 -2.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1661 -2.6387 -2.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7292 -0.7330 -2.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6773 -2.0064 -0.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9957 0.7982 -0.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4099 0.4835 1.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2862 -1.8322 2.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8722 -2.5060 0.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9695 -2.6683 2.5132 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3645 -1.1353 2.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3000 1.0978 1.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9203 1.2375 2.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5979 0.3518 -0.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2693 1.9517 0.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5923 -0.5367 1.4886 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -2.8551 0.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7370 -2.8752 -0.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7712 -1.8730 2.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1141 -1.2957 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4448 -1.0850 -1.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 3.5878 0.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1722 3.1002 -1.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0023 2.6278 0.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0064 4.0076 -0.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6133 2.2559 -2.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6885 1.0083 -0.9343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0129 2.8655 -1.6541 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7698 1.2356 -2.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1411 2.1821 0.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6673 0.5146 0.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2191 1.9826 -0.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0636 0.7667 0.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5698 0.3330 -2.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9929 -0.1943 -1.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 -1.9667 -1.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0609 -1.0742 -0.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5949 -1.2928 1.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7654 -2.6866 0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8707 -3.3371 1.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7273 -3.5692 -0.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9207 -3.0578 0.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3247 -2.0349 -1.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7375 -1.4042 1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2164 -0.1027 0.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7590 -1.6646 0.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5726 0.0100 1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5503 -0.7952 -1.6751 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6951 0.7670 -0.8894 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9974 0.8142 -0.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3859 0.5627 -2.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4471 -0.6589 -2.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1561 -1.7767 -2.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8173 -2.6051 -1.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2854 -2.8386 -0.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0318 -0.6779 1.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9873 -2.1879 1.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6745 0.0818 -0.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4657 -1.5070 -0.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8914 -0.8625 1.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9988 0.6820 1.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5631 -0.2333 0.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4881 0.9460 1.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2347 1.2503 -1.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7092 2.0667 -0.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1499 2.8497 1.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1289 3.6591 -0.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7994 2.4540 0.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 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 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 18 80 1 0 19 81 1 0 20 82 1 0 20 83 1 0 21 84 1 0 21 85 1 0 25 86 1 1 26 87 1 0 26 88 1 0 27 89 1 0 28 90 1 0 28 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 50128 1 0 50129 1 0 51130 1 0 51131 1 0 52132 1 0 52133 1 0 53134 1 0 53135 1 0 54136 1 0 54137 1 0 54138 1 0 M END