HMDB0289305 RDKit 3D PC(DiMe(9,3)/18:3(10,12,15)-OH(9)) 132132 0 0 0 0 0 0 0 0999 V2000 2.9464 -1.0046 3.9833 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3328 -2.3844 4.4855 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 -3.0845 5.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7359 -4.2269 4.5362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5365 -4.9481 5.0953 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4815 -5.0781 4.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3220 -4.6187 2.7993 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3579 -4.7691 1.7744 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1694 -4.2993 0.5535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1598 -4.4071 -0.5392 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5910 -3.9917 -1.7355 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3316 -3.4476 -0.2805 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7186 -2.0668 -0.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7405 -0.9787 0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7643 -0.9626 -1.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8007 0.1077 -0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1182 1.4760 -0.9001 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3527 1.6928 -2.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6600 2.9830 -2.2560 C 0 0 0 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0 52 53 1 0 53 54 1 0 53 55 1 0 53 56 1 0 43 35 2 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 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 22 86 1 6 23 87 1 0 23 88 1 0 27 89 1 0 27 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 40111 1 0 42112 1 0 42113 1 0 42114 1 0 44115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 51120 1 0 51121 1 0 52122 1 0 52123 1 0 54124 1 0 54125 1 0 54126 1 0 55127 1 0 55128 1 0 55129 1 0 56130 1 0 56131 1 0 56132 1 0 M CHG 2 49 -1 53 1 M END