HMDB0061531 RDKit 3D PE(MonoMe(11,5)/MonoMe(11,5)) 141142 0 0 0 0 0 0 0 0999 V2000 17.5546 0.7119 1.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9690 -0.5987 1.6119 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6230 -0.5194 2.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6074 0.0756 1.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2177 0.1504 2.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2710 0.1046 0.8438 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3983 0.7790 -0.3141 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3263 0.3716 -1.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0249 0.9217 -2.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6363 -0.5322 -0.3212 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4356 -1.3112 -0.6284 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3165 -0.4598 -1.0523 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8956 0.6725 -0.2983 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6047 0.8223 1.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -0.1933 1.9029 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8672 -0.9280 1.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0334 0.0541 0.2711 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4989 -0.4337 -1.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4837 -1.4516 -1.1955 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1325 -1.0272 -0.6037 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4618 0.1075 -1.0911 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4390 0.6941 -2.1914 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6475 0.8496 -0.1415 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0198 2.0116 -0.4038 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5019 2.7270 0.9386 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6374 2.4622 1.9807 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5202 1.1653 2.0231 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3426 -0.3139 2.5630 P 0 0 0 0 0 5 0 0 0 0 0 0 1.6835 -0.9211 3.1784 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8397 -0.5286 3.7684 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0579 -1.4012 1.3644 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 -2.1685 1.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1467 -2.9212 -0.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1089 -2.1111 -1.3115 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6327 2.1417 1.4497 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6677 1.5163 1.1657 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7816 1.0313 -0.0337 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8098 1.2839 2.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4565 -0.0511 2.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7738 -0.2561 0.5883 C 0 0 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