HMDB0061505 RDKit 3D PE(DiMe(9,3)/MonoMe(13,5)) 138139 0 0 0 0 0 0 0 0999 V2000 0.6141 6.2118 -6.7687 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7142 5.6441 -7.6439 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7474 4.9133 -6.8448 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 3.7590 -6.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5914 2.6703 -6.8889 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1257 1.6153 -5.9176 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8489 0.5435 -5.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0371 -0.1796 -4.5739 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4699 -1.4022 -3.8395 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1534 0.5085 -4.5449 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3809 0.2290 -3.7991 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3037 -0.7943 -4.3827 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7126 -2.1543 -4.4831 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6158 -3.1876 -5.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9209 -3.4705 -4.4651 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0960 -3.9293 -3.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6900 -2.9635 -2.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9636 -3.6061 -0.6688 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5402 -2.6761 0.4698 C 0 0 0 0 0 0 0 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