HMDB0061591 RDKit 3D PS(DiMe(9,5)/DiMe(9,3)) 132133 0 0 0 0 0 0 0 0999 V2000 2.3069 3.2529 -4.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1862 2.2921 -3.7769 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1152 2.8887 -4.2834 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2805 1.9487 -3.9882 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5425 2.6035 -4.5231 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7296 1.7374 -4.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3424 0.9891 -5.1392 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3634 0.3512 -4.5643 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2930 -0.5805 -5.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2342 -2.0081 -4.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9711 -2.7605 -5.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8132 -2.3308 -4.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5986 -3.2152 -4.5004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 -2.8029 -3.6885 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6935 -2.9513 -2.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6265 -2.5673 -1.2918 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6529 -3.2898 -1.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8194 -4.1731 -2.2901 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7096 -3.0432 -0.5817 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9863 -3.6076 -0.5446 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6612 -2.8714 0.6652 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9402 -3.3106 1.9261 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5225 -2.7094 3.0379 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7580 -3.1715 4.4604 P 0 0 0 0 0 5 0 0 0 0 0 0 2.4557 -4.6778 4.4428 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2411 -2.4123 4.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7498 -2.9087 5.7835 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4137 -1.7875 6.5076 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3012 -1.5893 7.7128 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6897 -1.4364 7.3585 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8834 -0.3837 8.4656 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6940 -0.2572 8.8770 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7404 0.6627 8.7650 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6335 -1.5108 0.4407 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6502 -0.6008 0.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8184 -1.0204 0.5640 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3718 0.8174 0.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7891 1.7741 1.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3859 3.1444 0.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7139 4.2901 1.5346 C 0 0 0 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