HMDB0008860 RDKit 3D PE(14:1(9Z)/18:1(11Z)) 117116 0 0 0 0 0 0 0 0999 V2000 -3.6531 1.5684 -7.7394 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8526 2.0491 -6.5203 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3696 1.3105 -5.2893 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8532 1.6253 -5.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3467 0.8959 -3.9271 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8730 1.3892 -2.8301 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0626 2.8116 -2.5812 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4546 3.4036 -1.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9839 3.4215 -1.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3774 2.0686 -1.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8961 2.0772 -0.8367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1011 2.9083 -1.7917 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3743 2.8951 -1.4477 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9806 1.5647 -1.5442 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8089 0.9458 -2.6425 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7279 0.9392 -0.5336 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2671 -0.3238 -0.8336 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0778 -0.9449 0.2528 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9303 -2.0401 -0.3183 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2065 -3.1660 -0.6877 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2686 -4.3362 -1.3454 P 0 0 0 0 0 5 0 0 0 0 0 0 5.3416 -3.6651 -2.1532 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3596 -5.4084 -2.2632 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -5.1761 -0.0435 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1348 -5.7984 -0.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6419 -6.5127 0.8526 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6246 -7.4864 1.2292 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3972 -1.3389 1.4016 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5132 -0.7142 2.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2716 0.2858 2.6610 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8272 -1.1745 3.8426 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6573 -0.2614 4.9976 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9095 0.3237 5.5428 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8248 1.2046 6.7071 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0581 2.4386 6.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 3.5280 5.8026 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7076 3.1958 4.4183 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2004 3.0487 4.4908 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4238 2.5581 3.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8966 2.4728 3.3973 C 0 0 0 0 0 0 0 0 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1 0 29 30 2 0 29 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 2 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 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 2 52 1 0 3 53 1 0 3 54 1 0 4 55 1 0 4 56 1 0 5 57 1 0 6 58 1 0 7 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 0 9 64 1 0 10 65 1 0 10 66 1 0 11 67 1 0 11 68 1 0 12 69 1 0 12 70 1 0 13 71 1 0 13 72 1 0 17 73 1 0 17 74 1 0 18 75 1 1 19 76 1 0 19 77 1 0 23 78 1 0 25 79 1 0 25 80 1 0 26 81 1 0 26 82 1 0 27 83 1 0 27 84 1 0 31 85 1 0 31 86 1 0 32 87 1 0 32 88 1 0 33 89 1 0 33 90 1 0 34 91 1 0 34 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 47117 1 0 M END