HMDB0113093 RDKit 3D PE-NMe(18:0/20:0) 142141 0 0 0 0 0 0 0 0999 V2000 -1.0618 -6.5593 6.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3011 -5.3353 6.9428 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4344 -4.5054 6.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1627 -4.0143 4.9983 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9741 -3.1290 4.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1001 -1.8654 5.6855 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1614 -1.0372 5.4318 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0217 0.2224 6.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2405 1.1414 6.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9423 2.3473 6.9061 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9877 3.4221 6.8604 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1997 3.9519 5.4557 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9084 4.4943 4.8812 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1081 5.0244 3.4814 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1924 5.5261 2.9093 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2476 4.4672 2.8157 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8985 3.3040 1.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6521 3.6651 0.5149 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2796 2.3842 -0.2141 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 2.5989 -1.6504 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9545 2.2943 -2.4804 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1171 3.1373 -2.1393 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2915 3.3712 -3.5496 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3270 4.9190 -3.7061 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1547 5.4229 -3.1387 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0803 5.1632 -3.7753 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0331 4.5593 -4.8450 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3118 5.6060 -3.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6304 5.3942 -3.6868 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2589 4.0953 -3.9673 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7128 3.1925 -5.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5955 2.0196 -5.2896 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7525 0.9267 -4.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4795 0.0707 -4.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7652 -1.1183 -3.3007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6677 -2.1075 -3.2871 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3362 -1.7731 -2.7535 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3021 -1.5335 -1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1223 -1.2675 -0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1702 -1.1271 0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5286 -0.8865 1.2261 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5705 -1.9181 1.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 -3.2453 1.6439 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 -4.0507 1.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5681 2.7994 -4.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6351 1.4148 -3.8034 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0996 0.7706 -4.3419 P 0 0 0 0 0 5 0 0 0 0 0 0 4.3906 1.1611 -5.7739 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3849 1.3504 -3.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0334 -0.9012 -4.1972 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0428 -1.5385 -5.4187 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9906 -3.0273 -5.2866 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1259 -3.5405 -4.5410 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0787 -4.9742 -4.4095 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2206 -6.3641 5.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8370 -7.4505 6.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9625 -6.7819 5.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6424 -5.7257 7.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 -4.7603 7.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3199 -5.1920 6.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6870 -3.7296 7.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0599 -3.3977 4.6971 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1431 -4.8537 4.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9489 -2.7903 3.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -3.6049 5.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9492 -1.2745 5.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2006 -2.1194 6.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2555 -0.7847 4.3699 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0208 -1.5912 5.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0763 0.0159 7.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 0.7819 5.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3120 1.4326 4.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1624 0.6528 6.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 2.6997 6.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8717 1.9751 7.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7294 4.2259 7.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9504 2.9817 7.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6935 3.2002 4.8466 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8887 4.8161 5.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1275 3.6985 4.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5067 5.2633 5.5723 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7956 5.8937 3.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6100 4.2810 2.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5305 6.3555 3.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0371 5.9563 1.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5475 4.1475 3.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1834 4.9145 2.3665 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0997 2.6563 2.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8105 2.6354 1.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6448 4.0024 0.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0541 4.4760 0.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5329 1.9300 0.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1876 1.7231 -0.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 3.0126 -4.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2361 5.2778 -3.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3513 5.1048 -4.7884 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1587 6.7339 -2.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2372 5.1948 -2.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3570 5.9870 -2.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7539 6.0839 -4.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3510 3.5571 -2.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3690 4.2735 -4.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6896 2.7829 -4.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5413 3.7481 -5.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2401 1.5850 -6.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6150 2.4647 -5.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5403 0.2336 -4.7019 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0606 1.2202 -3.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2582 -0.2680 -5.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6200 0.6482 -3.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7594 -1.5475 -3.5216 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8464 -0.6932 -2.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0513 -2.9745 -2.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5763 -2.6328 -4.2952 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5933 -2.5539 -3.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9193 -0.8305 -3.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6250 -2.4511 -0.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9256 -0.6903 -0.9825 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 -0.2316 -1.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 -2.0002 -1.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3192 -1.9874 1.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4543 -0.2258 0.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9176 0.1024 0.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4300 -0.7321 2.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8478 -2.0016 -0.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5281 -1.4798 1.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3573 -3.1256 2.7756 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3302 -3.8830 1.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5176 -5.1527 1.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3967 -4.0538 2.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8452 -3.8290 0.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4282 3.3142 -3.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6823 2.9389 -5.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7491 0.6116 -2.8259 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9281 -1.2626 -6.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1357 -1.2223 -5.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0463 -3.3104 -4.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0355 -3.4609 -6.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2182 -3.1114 -3.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -5.4946 -5.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0285 -5.3392 -4.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6377 -5.2341 -3.4785 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 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 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 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 23 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 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 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 6 67 1 0 7 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 9 73 1 0 10 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 23 94 1 0 24 95 1 0 24 96 1 0 28 97 1 0 28 98 1 0 29 99 1 0 29100 1 0 30101 1 0 30102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 33108 1 0 34109 1 0 34110 1 0 35111 1 0 35112 1 0 36113 1 0 36114 1 0 37115 1 0 37116 1 0 38117 1 0 38118 1 0 39119 1 0 39120 1 0 40121 1 0 40122 1 0 41123 1 0 41124 1 0 42125 1 0 42126 1 0 43127 1 0 43128 1 0 44129 1 0 44130 1 0 44131 1 0 45132 1 0 45133 1 0 49134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 54140 1 0 54141 1 0 54142 1 0 M END