HMDB0113373 RDKit 3D PE-NMe(20:3(5Z,8Z,11Z)/18:1(9Z)) 134133 0 0 0 0 0 0 0 0999 V2000 -2.4290 4.4357 4.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4689 3.8191 3.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9521 3.3895 1.8247 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8555 2.3570 1.8735 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2725 1.1025 2.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2517 0.0292 2.6219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0291 0.4266 3.3226 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9966 -0.7572 3.3471 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2739 -0.4167 3.9638 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3980 -0.5576 3.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5351 -1.0684 1.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3579 -2.3166 2.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4938 -2.5493 1.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2112 -1.6031 0.6179 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3731 -2.3554 -0.6636 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9294 -2.0240 -1.8462 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1711 -0.7941 -2.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8769 0.0745 -3.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1437 1.3492 -3.3834 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7420 1.1307 -3.8905 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3868 0.0206 -4.3058 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8356 2.1484 -3.8952 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5288 2.2478 -4.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6364 1.3229 -3.3831 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2057 1.5376 -1.9721 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0294 2.8155 -1.4903 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8063 2.9450 0.0179 P 0 0 0 0 0 5 0 0 0 0 0 0 1.7191 1.5772 0.6509 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4300 3.4024 -0.2058 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0832 4.0507 1.0471 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0319 4.9713 1.4474 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5581 6.0253 2.3848 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0424 5.4630 3.6332 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5879 6.5309 4.4685 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9662 0.0123 -3.7010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1317 -0.9825 -4.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0611 -0.7117 -4.3689 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 -2.2884 -4.4344 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0188 -3.2921 -5.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2517 -3.8224 -4.6702 C 0 0 0 0 0 0 0 0 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0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 1 0 49 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 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 19 86 1 0 19 87 1 0 23 88 1 0 23 89 1 0 24 90 1 0 25 91 1 0 25 92 1 0 29 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 34101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 54134 1 0 M END