HMDB0061508 RDKit 3D PE(DiMe(9,5)/DiMe(11,5)) 141142 0 0 0 0 0 0 0 0999 V2000 -10.5816 -4.8041 3.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9401 -4.4071 2.6322 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4629 -3.1771 3.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7020 -1.9328 3.2095 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4526 -1.1534 2.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8152 -1.7913 0.8775 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4852 -1.7700 0.6608 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1924 -2.4100 -0.4116 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8182 -2.6075 -0.9991 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7709 -1.6074 -2.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9618 -0.2117 -1.6332 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0149 0.7479 -2.8402 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1905 2.1420 -2.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0647 2.6997 -1.5961 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8188 3.0774 -2.2638 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9832 2.2000 -3.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3413 1.0016 -2.5114 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3943 1.1566 -1.3732 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2669 2.0474 -1.5716 C 0 0 0 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-4.2464 2.5441 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0953 -5.6194 2.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1104 -6.7373 2.3641 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1990 -1.2670 0.3437 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3805 -1.5207 -0.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9537 -0.8363 -0.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6673 -0.5534 -1.5506 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0611 4.1111 0.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9979 4.9575 -0.1134 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1838 6.1624 1.0647 P 0 0 0 0 0 5 0 0 0 0 0 0 2.5821 6.6774 1.1043 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 5.4875 2.5817 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0896 7.3815 0.7008 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 8.6149 1.1173 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3659 9.7350 0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6319 9.5181 1.4826 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.3213 -2.9078 -0.9877 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4410 -3.6918 -2.2225 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3482 -2.5144 -0.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7902 -2.7765 -0.3825 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5639 -5.8505 3.5512 H 0 0 0 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