HMDB0113129 RDKit 3D PE-NMe(18:1(11Z)/22:1(13Z)) 144143 0 0 0 0 0 0 0 0999 V2000 4.7540 1.8575 -8.3486 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9354 1.7622 -6.8529 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8422 2.5080 -6.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0198 2.4050 -4.6195 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8738 3.1765 -3.9681 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0101 3.0847 -2.4481 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9268 3.8020 -1.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0746 3.2092 -0.9814 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0393 1.8048 -0.6104 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1734 1.0154 -0.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6703 0.8858 -2.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1049 2.1166 -2.9022 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7426 2.0809 -4.2229 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2091 1.5825 -5.4649 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9643 0.2146 -5.8899 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0595 -0.6800 -5.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0504 -1.9925 -5.9896 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9411 -2.9541 -5.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2515 -3.9928 -6.0423 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5020 -2.8890 -4.1078 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3693 -3.9116 -3.6201 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8239 -3.6294 -2.2319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7008 -3.7488 -1.2174 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7556 -2.7571 -1.2787 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3811 -3.0978 -0.0567 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.5087 -4.6107 0.0116 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3108 -2.5969 1.4232 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8515 -2.3407 -0.3178 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3598 -2.7981 -1.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7042 -2.1225 -1.7444 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5319 -2.5167 -0.6248 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8806 -3.8992 -0.6252 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5161 -2.4340 -2.0957 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7939 -2.3088 -1.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3629 -3.3497 -1.1026 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4859 -1.0279 -1.4271 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7026 -0.4446 -0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4990 -0.1258 0.7252 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6219 -1.2217 1.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2783 -2.2041 2.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6717 -1.5104 3.3929 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4474 -0.9170 4.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 -1.9186 4.5157 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1628 -1.4710 5.0629 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0257 -0.5776 6.2009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4858 0.8455 6.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8234 1.5559 4.9841 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0578 2.6168 5.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2461 3.2635 6.3362 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7529 3.2326 6.6238 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4688 3.9503 5.5345 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9561 4.0078 5.6728 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5343 2.6226 5.6808 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0414 2.5918 5.8076 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6983 3.3194 4.6638 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2021 3.2924 4.7685 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7335 1.8206 -8.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1903 2.7687 -8.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1901 0.9507 -8.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9349 2.1174 -6.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 -8.4975 3.0396 5.8245 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 2 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 2 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 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 6 69 1 0 7 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 21 90 1 0 21 91 1 0 22 92 1 0 23 93 1 0 23 94 1 0 27 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 32101 1 0 32102 1 0 32103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 48127 1 0 49128 1 0 49129 1 0 50130 1 0 50131 1 0 51132 1 0 51133 1 0 52134 1 0 52135 1 0 53136 1 0 53137 1 0 54138 1 0 54139 1 0 55140 1 0 55141 1 0 56142 1 0 56143 1 0 56144 1 0 M END