HMDB0113953 RDKit 3D PE-NMe2(16:0/22:0) 145144 0 0 0 0 0 0 0 0999 V2000 4.3582 -0.3538 -0.5423 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7360 1.0013 0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6412 2.0305 -0.1594 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3711 1.6148 0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 2.7108 0.3515 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 2.2304 1.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0898 3.2387 0.9656 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2548 2.5505 1.6254 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4526 3.4955 1.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6284 2.7606 2.2918 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4656 2.2472 3.6495 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3551 3.0950 4.8275 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3918 4.1440 5.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9501 3.9767 4.9809 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3228 2.8166 5.6739 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1732 2.8913 5.5469 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8877 1.6342 6.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5346 0.4778 5.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2685 -0.7847 5.5547 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9666 -1.8776 4.5473 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5060 -2.2116 4.4287 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6457 -3.2396 3.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 -3.9551 3.2242 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3419 -3.3701 2.3917 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5173 -4.1854 1.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7333 -3.4991 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3013 -2.7494 -0.5464 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 -3.3515 -0.9595 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5227 -4.6535 -0.7875 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6548 -2.8096 -1.5725 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7256 -1.2986 -1.7191 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0132 -0.9503 -2.4213 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2804 0.4753 -2.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3034 1.2611 -3.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8401 2.6730 -3.6832 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0641 3.4420 -2.4282 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6890 4.7565 -2.6094 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1106 5.8772 -3.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8852 6.5498 -2.9348 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5449 5.9848 -2.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0143 5.6416 -4.3561 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4168 5.2330 -4.2463 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7014 4.0392 -3.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0735 2.7787 -3.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6223 -5.2192 1.5402 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7476 -5.9946 0.4152 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9256 -7.1978 0.6031 P 0 0 0 0 0 5 0 0 0 0 0 0 4.0682 -6.7159 1.4479 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2020 -8.6013 1.2695 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4903 -7.6259 -0.9219 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1709 -6.5894 -1.4977 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7020 -6.9337 -2.8766 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4054 -5.8078 -3.4320 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9344 -6.0853 -4.7496 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3577 -5.2347 -2.5263 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2669 -0.9730 -0.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7038 -0.8403 0.2271 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8466 -0.3067 -1.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6609 1.3121 -0.5383 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0315 0.8891 1.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4594 2.1217 -1.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9599 3.0028 0.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5744 1.3973 1.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0105 0.6670 0.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7315 3.6363 0.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1435 2.7085 -0.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3224 1.3394 0.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2416 1.9584 2.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3135 3.5634 -0.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7716 4.0766 1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9324 2.1864 2.6041 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5704 1.7232 0.9407 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1838 4.4252 2.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6748 3.7616 0.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8464 1.9233 1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5472 3.4142 2.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6609 1.4324 3.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3898 1.5766 3.8356 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3931 3.6307 4.8809 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5103 2.4452 5.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6359 4.5723 6.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7145 5.0442 4.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5727 4.0610 3.9523 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4671 4.8940 5.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6693 1.8464 5.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5372 2.8581 6.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5922 3.7588 6.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4676 3.1209 4.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9695 1.8132 6.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5449 1.4840 7.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 0.6806 4.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5737 0.2864 5.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3475 -0.5699 5.4752 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0252 -1.0605 6.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4436 -1.6801 3.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4563 -2.7851 4.9559 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0515 -1.3117 4.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8673 -2.6061 5.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4146 -4.8206 1.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9568 -4.3094 -0.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7106 -2.9120 0.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5903 -3.1225 -1.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7461 -3.2431 -2.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8682 -0.8846 -2.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7858 -0.8588 -0.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8825 -1.3880 -1.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0816 -1.5252 -3.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3445 0.6601 -2.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2988 0.9974 -1.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3638 1.3062 -2.8812 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1175 0.8198 -4.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1600 3.1753 -4.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8547 2.5214 -4.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1396 3.4480 -1.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8191 2.8364 -1.8045 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7406 4.5130 -3.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9977 5.1024 -1.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9699 5.5376 -4.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9630 6.6638 -3.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0217 6.9309 -1.8435 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8562 7.5649 -3.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8268 6.7672 -2.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5060 5.0788 -2.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0738 6.5717 -4.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5955 4.8775 -4.8804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0774 6.0910 -3.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7498 4.9876 -5.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 4.1700 -2.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8008 3.9129 -3.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1401 2.0972 -3.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8477 3.0341 -4.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7918 2.2263 -4.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5655 -4.7406 1.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3290 -5.9125 2.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2783 -8.3816 1.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5193 -5.6824 -1.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0269 -6.3270 -0.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9025 -7.2278 -3.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4293 -7.7869 -2.8103 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0300 -6.2928 -4.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7666 -5.1914 -5.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3850 -6.9615 -5.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7620 -6.0343 -1.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1608 -4.6563 -3.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7982 -4.5187 -1.8485 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 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 27 28 1 0 28 29 2 0 28 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 25 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 53 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 6 68 1 0 7 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 9 74 1 0 10 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 20 95 1 0 20 96 1 0 21 97 1 0 21 98 1 0 25 99 1 0 26100 1 0 26101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 38119 1 0 39120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 41125 1 0 42126 1 0 42127 1 0 43128 1 0 43129 1 0 44130 1 0 44131 1 0 44132 1 0 45133 1 0 45134 1 0 49135 1 0 51136 1 0 51137 1 0 52138 1 0 52139 1 0 54140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 55145 1 0 M END