HMDB0056158 RDKit 3D DG(16:1n7/0:0/18:1n9) 110109 0 0 0 0 0 0 0 0999 V2000 -9.1593 4.4254 -0.5491 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7616 3.4793 0.5611 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0098 2.8017 1.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7223 2.0051 -0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9416 1.3969 0.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7780 0.5098 1.7168 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0352 -0.7431 1.6813 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5926 -0.7826 1.3538 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1442 -2.2007 1.4902 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6660 -2.8557 0.4772 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4671 -2.4267 -0.9031 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9969 -2.5090 -1.3435 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1211 -1.6346 -0.5134 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7020 -1.7244 -1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1710 -3.1093 -0.8798 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1370 -3.5850 0.5547 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2392 -2.7394 1.4381 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8110 -2.7861 0.9769 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9909 -2.0559 1.5645 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3745 -3.5733 -0.0321 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1157 -3.7435 -0.5749 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4997 -2.4952 -1.1464 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3770 -1.9942 -2.1146 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7715 -2.8606 -1.8955 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4106 -1.8270 -2.5393 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9483 -0.7625 -1.8442 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8246 -0.7810 -0.5993 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6472 0.3608 -2.4856 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4314 1.2282 -1.5319 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5144 0.4356 -0.8257 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4798 -0.1487 -1.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5763 -0.9609 -1.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6824 -0.5372 -0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1176 0.6274 -0.1567 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6147 1.9602 -0.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7126 2.8005 -1.1505 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9311 2.9557 -0.3076 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7372 3.6375 1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0682 3.7164 1.7142 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6924 2.3954 2.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8433 1.5335 2.9141 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4946 0.1988 3.1918 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4748 5.2987 -0.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1702 3.8406 -1.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2013 4.7768 -0.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3742 4.0819 1.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9978 2.7737 0.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7301 2.0925 1.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6733 3.5845 1.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0106 1.4020 -0.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0531 2.7785 -0.7986 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6173 0.9664 -0.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5801 2.2832 0.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3244 1.1268 2.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8192 0.2501 2.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1183 -1.2031 2.7293 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6181 -1.5127 1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0387 -0.2224 2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2619 -0.4298 0.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2432 -2.6429 2.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3624 -3.9085 0.6994 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9607 -3.2323 -1.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8107 -1.4415 -1.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7090 -3.5688 -1.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9443 -2.1195 -2.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2016 -1.9360 0.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4714 -0.5633 -0.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6374 -1.3885 -2.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1198 -0.9777 -0.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7978 -3.8181 -1.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1557 -3.2086 -1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1337 -3.6007 1.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7173 -4.6181 0.5813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5791 -1.6828 1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2714 -3.1652 2.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1226 -4.5679 -1.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5705 -4.0608 0.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7503 -1.8140 -0.3478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7880 -1.1299 -1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4539 -3.6258 -2.6546 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4392 -3.4145 -1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8220 1.0386 -2.8715 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1929 0.0544 -3.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8168 2.0985 -2.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7343 1.5816 -0.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9629 1.0646 -0.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0252 -0.4127 -0.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7905 -0.7931 -2.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8375 0.6028 -2.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0186 -1.8065 -0.6884 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9323 -1.6487 -2.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3311 -1.4181 -0.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0533 0.5946 0.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4177 2.5173 0.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7179 2.0615 -1.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0033 2.3006 -2.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2764 3.8062 -1.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4024 1.9692 -0.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6776 3.5729 -0.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4033 4.7035 0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0393 3.0930 1.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9116 4.2329 2.6898 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8051 4.3216 1.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6449 2.6031 2.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9786 1.7974 1.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7708 2.0327 3.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8128 1.4286 2.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2666 0.2737 3.9919 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6614 -0.4853 3.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8843 -0.2189 2.2569 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 2 0 10 11 1 0 11 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 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 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 1 43 1 0 1 44 1 0 1 45 1 0 2 46 1 0 2 47 1 0 3 48 1 0 3 49 1 0 4 50 1 0 4 51 1 0 5 52 1 0 5 53 1 0 6 54 1 0 6 55 1 0 7 56 1 0 7 57 1 0 8 58 1 0 8 59 1 0 9 60 1 0 10 61 1 0 11 62 1 0 11 63 1 0 12 64 1 0 12 65 1 0 13 66 1 0 13 67 1 0 14 68 1 0 14 69 1 0 15 70 1 0 15 71 1 0 16 72 1 0 16 73 1 0 17 74 1 0 17 75 1 0 21 76 1 0 21 77 1 0 22 78 1 1 23 79 1 0 24 80 1 0 24 81 1 0 28 82 1 0 28 83 1 0 29 84 1 0 29 85 1 0 30 86 1 0 30 87 1 0 31 88 1 0 31 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 42110 1 0 M END