HMDB0113087 RDKit 3D PE-NMe(18:0/16:0) 130129 0 0 0 0 0 0 0 0999 V2000 13.5685 1.4515 2.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9078 1.0868 1.1048 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5426 -0.3553 0.8047 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8823 -0.7289 -0.6082 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1828 0.1042 -1.6288 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6829 0.0248 -1.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1916 -1.3863 -1.8605 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7094 -1.4922 -1.8382 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0848 -1.1121 -0.4862 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5689 -1.9727 0.5981 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1128 -1.6637 1.9573 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6960 -1.6605 2.3441 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7725 -0.6283 1.8183 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3551 -0.8388 2.3519 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7753 -2.1572 1.8782 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7050 -2.1758 0.3664 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8130 -1.1353 -0.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4164 -1.3554 0.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1248 -2.4350 0.7886 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3737 -0.4752 -0.1378 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1018 -0.8425 0.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9825 0.1369 -0.0987 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7118 1.5362 0.3655 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6670 2.4254 -0.1193 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3741 3.9969 0.3784 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.1432 3.9877 1.2594 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6982 4.6789 1.2084 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1206 4.9669 -0.9861 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0186 4.6518 -2.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8029 5.4930 -3.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4624 5.2655 -3.7119 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 5.7788 -2.8187 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2412 -0.3712 0.3173 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1922 -0.7055 -0.6228 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9213 -0.5272 -1.8287 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5377 -1.2863 -0.1796 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2781 -1.5464 -1.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5361 -2.2551 -1.4767 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7687 -1.8690 -0.7586 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6426 -1.9241 0.7195 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8093 -1.6719 1.5747 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5309 -0.4147 1.6866 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1636 0.1221 0.4732 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0067 1.3780 0.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0897 1.1046 1.7652 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0546 0.0307 1.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7082 0.4427 -0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7196 -0.4899 -0.5573 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2927 -1.8681 -0.9114 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8199 -2.7286 0.2131 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3089 2.1772 2.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5608 1.9503 2.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5053 0.5464 3.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3699 1.7876 0.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9864 1.2751 0.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2203 -0.9595 1.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5267 -0.5926 1.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6651 -1.8104 -0.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9758 -0.5929 -0.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5182 -0.2699 -2.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4762 1.1727 -1.5174 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2276 0.4960 -0.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3349 0.6303 -2.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5126 -1.6151 -2.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7023 -2.1379 -1.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3082 -0.7597 -2.5695 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3512 -2.4908 -2.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9940 -1.3952 -0.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1484 -0.0535 -0.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2056 -3.0523 0.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6991 -2.0333 0.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7185 -2.2950 2.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5338 -0.6142 2.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6799 -1.5212 3.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2588 -2.6988 2.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0861 0.3629 2.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7530 -0.4282 0.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7090 0.0165 2.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4398 -0.8965 3.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7526 -2.2259 2.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3914 -2.9788 2.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7180 -2.0609 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3372 -3.1694 0.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9109 -1.1842 -1.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1472 -0.0929 0.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 -1.8177 -0.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1185 -1.0699 1.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9922 0.1685 -1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5702 1.6163 1.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 1.8369 -0.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2843 5.2435 1.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0786 4.7133 -1.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8626 3.5625 -2.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5420 5.1875 -3.9934 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9555 6.5572 -2.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3607 4.2764 -3.9893 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4259 6.1769 -3.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1335 6.6083 -2.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8848 4.9621 -2.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3898 -2.1062 0.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0166 -0.3640 0.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5943 -2.0436 -2.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4042 -0.5039 -1.9194 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3262 -3.3814 -1.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8482 -2.2937 -2.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5840 -2.6484 -1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2055 -0.9287 -1.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7911 -1.2545 1.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2315 -2.9592 1.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5779 -2.5139 1.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5383 -2.0401 2.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3220 -0.5742 2.5151 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8268 0.3873 2.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3238 0.5350 -0.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7707 -0.5605 -0.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3330 2.1668 1.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4436 1.7684 -0.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7091 0.8794 2.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7058 2.0422 1.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4018 -0.8538 1.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7932 -0.1587 2.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2319 1.4465 0.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9495 0.6070 -0.8267 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6193 -0.5211 0.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1274 0.0039 -1.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4906 -1.7648 -1.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1252 -2.4329 -1.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1323 -2.3595 1.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3308 -3.7613 0.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7222 -2.9099 0.1251 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 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 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 22 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 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 6 63 1 0 7 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 9 69 1 0 10 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 21 86 1 0 21 87 1 0 22 88 1 0 23 89 1 0 23 90 1 0 27 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 32 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 50130 1 0 M END