HMDB0011339 RDKit 3D PE(P-16:0/16:1(9Z)) 118117 0 0 0 0 0 0 0 0999 V2000 -12.7521 3.6558 -3.5103 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7778 2.6238 -3.1494 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5930 1.3709 -3.9149 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3518 0.6279 -3.6879 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0590 1.2805 -3.9865 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9381 0.2353 -3.7007 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6095 0.7937 -3.9842 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6693 0.9113 -3.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8247 0.5048 -1.6998 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8254 -0.6118 -1.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0846 -0.9105 0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3145 -1.9914 0.7369 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8717 -1.8857 0.9151 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0447 -1.7134 -0.2921 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5463 -1.8045 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2212 -0.6816 0.9812 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9818 0.2823 1.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0335 -0.6508 1.7153 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7618 0.4459 2.5468 C 0 0 2 0 0 0 0 0 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19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 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 19 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 40 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 3 53 1 0 4 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 6 59 1 0 7 60 1 0 8 61 1 0 9 62 1 0 9 63 1 0 10 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 12 69 1 0 13 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 19 76 1 1 20 77 1 0 20 78 1 0 22 79 1 0 23 80 1 0 24 81 1 0 24 82 1 0 25 83 1 0 25 84 1 0 26 85 1 0 26 86 1 0 27 87 1 0 27 88 1 0 28 89 1 0 28 90 1 0 29 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 37109 1 0 38110 1 0 38111 1 0 42112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 M END