HMDB0008002 RDKit 3D PC(16:1(9Z)/16:1(9Z)) 126125 0 0 0 0 0 0 0 0999 V2000 2.6418 1.1778 -0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0477 1.3010 -1.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5385 2.7651 -0.9148 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9224 2.7748 -1.4713 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7105 4.0044 -1.4312 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1945 5.1526 -2.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9009 5.6179 -1.8332 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8408 5.7198 -2.6237 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9254 5.3445 -4.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0868 4.2324 -4.5285 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6332 4.2892 -4.5615 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8296 4.4888 -3.3385 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6774 4.4268 -3.6415 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0766 3.1104 -4.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8103 1.9536 -3.2665 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5545 2.0372 -2.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3623 2.9701 -1.8235 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3813 1.0915 -1.0298 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1367 1.2231 0.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8358 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0 0 0 0 4.3878 -4.1896 -0.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3615 -3.7022 -1.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8813 -1.9963 -0.8474 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -2.8739 0.2418 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 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 23 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 29 32 1 0 20 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 2 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 9 66 1 0 9 67 1 0 10 68 1 0 10 69 1 0 11 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 19 80 1 0 19 81 1 0 20 82 1 1 21 83 1 0 21 84 1 0 27 85 1 0 27 86 1 0 28 87 1 0 28 88 1 0 30 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 31 93 1 0 31 94 1 0 32 95 1 0 32 96 1 0 32 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 50126 1 0 M CHG 2 25 -1 29 1 M END