HMDB0008858 RDKit 3D PE(14:1(9Z)/16:1(9Z)) 111110 0 0 0 0 0 0 0 0999 V2000 -14.9520 5.1131 -1.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6175 4.6172 -0.4607 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4821 3.1745 -0.8719 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1583 2.5752 -0.3503 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1466 1.1893 -0.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2199 0.6816 -1.5777 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0860 1.4690 -2.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7964 0.8096 -1.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6202 -0.5925 -1.9959 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3520 -1.1826 -1.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1777 -0.3867 -1.8757 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8835 -0.9492 -1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9314 -0.8945 0.1912 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6161 -1.4187 0.7663 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3497 -2.6376 0.6689 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7424 -0.6152 1.3710 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5587 -0.6636 1.9558 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3236 -0.9200 1.1476 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1033 -2.2829 0.6068 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8021 -2.6907 -0.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3278 -4.2967 -0.8290 P 0 0 0 0 0 5 0 0 0 0 0 0 0.3418 -4.3690 -2.1691 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7155 -5.2399 -0.8519 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6935 -4.8655 0.4021 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -5.7620 1.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9093 -6.2622 2.3463 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0571 -6.9190 1.8014 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7257 -0.8077 2.1976 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7582 0.0755 1.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7644 0.7164 0.8713 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8110 0.2292 2.9697 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6729 -0.9910 3.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3455 -1.2775 1.7664 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2204 -0.1278 1.3461 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2831 0.1759 2.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1421 1.3067 1.9231 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8980 1.0459 0.6532 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7893 -0.1256 0.7672 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1006 -0.1445 0.6354 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9017 1.0689 0.3398 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6161 0.8081 -0.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4739 1.9775 -1.3915 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6983 3.2413 -1.5997 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7213 4.3075 -2.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4373 3.9311 -3.2854 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6688 4.2597 -0.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7976 5.2993 -2.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2998 6.0150 -0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5171 4.7588 0.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8166 5.1864 -1.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2842 2.5379 -0.4493 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4185 3.0668 -1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2192 2.5907 0.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3941 3.2466 -0.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9784 0.5142 -0.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2620 -0.3756 -1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0153 2.5055 -1.7778 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0082 1.3926 -3.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9422 1.4690 -1.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8998 0.8034 -0.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4533 -0.6491 -3.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4923 -1.2401 -1.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2499 -2.1984 -1.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4339 -1.2782 -0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1273 -0.4937 -2.9884 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1868 0.6827 -1.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6369 -1.9364 -1.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0871 -0.2498 -1.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1318 0.1166 0.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6696 -1.6643 0.5238 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3815 0.3029 2.5809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5194 -1.4209 2.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0892 -0.1978 0.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2494 -3.0043 1.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9959 -2.3613 0.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6590 -5.8921 -1.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3275 -6.5998 0.5797 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8815 -5.3035 1.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2829 -6.9200 2.9971 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2013 -5.4028 2.9763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8031 -7.9167 1.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8436 -6.9007 2.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3941 1.1490 2.7081 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3316 0.4517 3.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0041 -1.8699 3.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4246 -0.8904 3.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9391 -2.2206 1.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6013 -1.4805 0.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7059 -0.3563 0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6412 0.8008 1.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8636 -0.7494 2.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7876 0.4506 3.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4619 2.2000 1.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8464 1.6342 2.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3882 1.9689 0.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1373 0.8194 -0.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3138 -1.1086 0.9891 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5879 -1.1246 0.7592 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2768 1.9466 0.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6878 1.0953 1.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2826 -0.0605 -0.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8585 0.5454 -1.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2895 2.1521 -0.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9457 1.7096 -2.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0379 3.1191 -2.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1733 3.6302 -0.7271 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2072 5.2932 -2.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4065 4.4979 -1.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6266 4.8196 -3.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8808 3.2086 -3.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4386 3.5349 -3.0208 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 2 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 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 21 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 18 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 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 2 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 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 2 50 1 0 3 51 1 0 3 52 1 0 4 53 1 0 4 54 1 0 5 55 1 0 6 56 1 0 7 57 1 0 7 58 1 0 8 59 1 0 8 60 1 0 9 61 1 0 9 62 1 0 10 63 1 0 10 64 1 0 11 65 1 0 11 66 1 0 12 67 1 0 12 68 1 0 13 69 1 0 13 70 1 0 17 71 1 0 17 72 1 0 18 73 1 6 19 74 1 0 19 75 1 0 23 76 1 0 25 77 1 0 25 78 1 0 26 79 1 0 26 80 1 0 27 81 1 0 27 82 1 0 31 83 1 0 31 84 1 0 32 85 1 0 32 86 1 0 33 87 1 0 33 88 1 0 34 89 1 0 34 90 1 0 35 91 1 0 35 92 1 0 36 93 1 0 36 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 39 98 1 0 40 99 1 0 40100 1 0 41101 1 0 41102 1 0 42103 1 0 42104 1 0 43105 1 0 43106 1 0 44107 1 0 44108 1 0 45109 1 0 45110 1 0 45111 1 0 M END