HMDB0286370 RDKit 3D PC(18:1(9Z)-O(12,13)/18:1(11Z)) 137137 0 0 0 0 0 0 0 0999 V2000 4.1676 -7.4522 -6.6979 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4571 -7.8369 -5.2632 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6089 -6.9816 -4.3278 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1492 -7.1745 -4.5844 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 -6.3122 -3.6697 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5668 -6.5843 -2.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2671 -7.9684 -1.8255 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3699 -8.3742 -0.9484 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4979 -7.4386 -0.1951 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9329 -7.7890 -0.5334 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9412 -6.9022 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7454 -5.4430 -0.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8210 -4.6499 0.5157 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6848 -3.1683 0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8424 -2.8838 -1.2495 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6893 -1.4501 -1.5957 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7107 -0.5837 -0.8917 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4752 0.8446 -1.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0511 1.3073 -2.3228 O 0 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30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 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 1 0 41 42 1 0 42 43 1 0 21 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 52 55 1 0 38 36 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 9 71 1 0 9 72 1 0 10 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 21 89 1 6 22 90 1 0 22 91 1 0 26 92 1 0 26 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 53129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 54134 1 0 55135 1 0 55136 1 0 55137 1 0 M CHG 2 48 -1 52 1 M END