HMDB0289107 RDKit 3D PC(DiMe(11,5)/20:3(6,8,11)-OH(5)) 150150 0 0 0 0 0 0 0 0999 V2000 2.9180 8.0182 1.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8923 7.1758 2.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6576 7.0103 1.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3362 6.1975 1.9287 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6081 5.8445 1.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3517 5.1403 -0.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4730 3.9333 0.1394 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1174 3.2213 -1.1724 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4323 4.1349 -2.1951 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 4.2507 -2.6813 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0162 5.2142 -3.7435 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9799 5.7269 -4.6029 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 5.5183 -4.8587 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5354 5.2932 -5.1514 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2355 4.3468 -4.5756 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6325 4.0491 -4.8756 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9523 4.1882 -6.2476 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0480 2.7096 -4.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3222 1.4882 -4.9641 C 0 0 0 0 0 0 0 0 0 0 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1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 6 75 1 0 7 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 13 85 1 0 14 86 1 0 15 87 1 0 16 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 20 94 1 0 20 95 1 0 24 96 1 6 25 97 1 0 25 98 1 0 29 99 1 0 29100 1 0 30101 1 0 30102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 33108 1 0 34109 1 0 34110 1 0 35111 1 0 35112 1 0 36113 1 0 36114 1 0 37115 1 0 37116 1 0 38117 1 0 38118 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 46129 1 0 48130 1 0 48131 1 0 48132 1 0 50133 1 0 50134 1 0 50135 1 0 51136 1 0 51137 1 0 57138 1 0 57139 1 0 58140 1 0 58141 1 0 60142 1 0 60143 1 0 60144 1 0 61145 1 0 61146 1 0 61147 1 0 62148 1 0 62149 1 0 62150 1 0 M CHG 2 55 -1 59 1 M END