HMDB0289168 RDKit 3D PC(18:1(12Z)-2OH(9,10)/DiMe(13,5)) 155155 0 0 0 0 0 0 0 0999 V2000 -4.8157 4.0513 -10.1935 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6003 3.4069 -9.5613 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1250 4.3343 -8.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9207 3.7574 -7.7543 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4428 4.6703 -6.6129 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2716 4.0061 -6.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2119 3.6174 -4.7963 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2637 3.7699 -3.7913 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7502 2.4552 -3.2387 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2831 1.7077 -4.3216 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5873 1.6003 -2.6622 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2842 0.4338 -2.2741 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0127 2.2611 -1.5013 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1499 1.7508 -0.7711 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2902 0.5271 -0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1012 -0.7962 -0.6532 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4409 -1.9729 0.2688 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8794 -2.0104 0.6762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1281 -3.2214 1.5668 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7007 -4.4659 0.8577 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5687 -4.9029 1.2309 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3746 -5.1303 -0.1007 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9993 -6.2756 -0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -5.9517 -1.7140 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3577 -4.8157 -2.6214 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4608 -5.3035 -3.3181 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1234 -4.1293 -4.3220 P 0 0 0 0 0 5 0 0 0 0 0 0 4.1681 -4.5145 -5.7633 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7333 -3.9062 -3.7927 O 0 0 0 0 0 1 0 0 0 0 0 0 3.3556 -2.6309 -4.1253 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1161 -1.6025 -4.6789 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3549 -0.3167 -4.4742 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0424 0.8332 -5.0085 N 0 0 0 0 0 4 0 0 0 0 0 0 5.4606 0.7111 -5.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4821 1.1756 -6.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7168 1.9847 -4.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7584 -5.5498 -0.9745 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 -5.9826 -0.9616 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8712 -6.8701 -1.7455 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4148 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41 42 1 0 42 43 1 0 43 44 1 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 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 54 60 2 0 60 61 1 0 60 62 1 0 62 63 1 0 62 52 2 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 1 10 80 1 0 11 81 1 6 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 23 97 1 0 23 98 1 0 24 99 1 6 25100 1 0 25101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 34106 1 0 34107 1 0 34108 1 0 35109 1 0 35110 1 0 35111 1 0 36112 1 0 36113 1 0 36114 1 0 40115 1 0 40116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 51137 1 0 51138 1 0 55139 1 0 55140 1 0 56141 1 0 56142 1 0 57143 1 0 57144 1 0 58145 1 0 58146 1 0 59147 1 0 59148 1 0 59149 1 0 61150 1 0 61151 1 0 61152 1 0 63153 1 0 63154 1 0 63155 1 0 M CHG 2 29 -1 33 1 M END