HMDB0061606 RDKit 3D PS(MonoMe(11,5)/DiMe(11,3)) 141142 0 0 0 0 0 0 0 0999 V2000 3.4734 -1.9537 7.9222 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0770 -0.6030 7.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 0.5689 7.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0482 0.8098 7.0728 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0365 -0.2970 7.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 0.0777 6.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2632 0.7112 6.6408 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 0.8469 5.5012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3840 1.4720 5.4234 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3510 0.2881 4.4625 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7469 0.1796 3.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6357 1.5588 2.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0103 1.3857 0.9442 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9970 2.6307 0.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5635 3.2278 0.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4772 4.4442 -0.6145 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7879 5.2054 -0.6427 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3033 5.8112 0.5835 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8120 5.1075 1.7417 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0561 4.3223 1.6887 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2932 3.1909 0.8382 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3756 3.1345 0.1130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4943 2.0579 0.6682 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8774 0.9797 -0.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1546 1.2299 -1.5713 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8653 1.5560 -2.3492 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2925 1.6258 -3.6832 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1269 2.0003 -4.7919 P 0 0 0 0 0 5 0 0 0 0 0 0 1.1118 3.5247 -4.9469 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5737 1.3016 -6.2931 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4183 1.4611 -4.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0787 1.2917 -5.6726 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5097 0.8295 -5.4968 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1949 1.8692 -4.7103 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1955 0.7232 -6.7995 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7680 -0.1280 -7.6220 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2605 1.5099 -7.1298 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6557 -0.0228 -2.1074 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7466 -0.0558 -2.9096 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2551 1.1206 -3.1492 O 0 0 0 0 0 0 0 0 0 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