HMDB0061619 RDKit 3D PS(MonoMe(13,5)/DiMe(9,5)) 147148 0 0 0 0 0 0 0 0999 V2000 16.7947 -3.5200 2.2299 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3952 -3.1494 2.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4582 -3.1569 1.4764 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0577 -2.7862 1.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0980 -2.7864 0.7256 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6497 -1.7788 -0.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5257 -2.1202 -1.2573 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8034 -0.9600 -1.9373 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6965 -0.7823 -3.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0766 0.0433 -1.3154 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0887 1.4681 -1.7346 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3137 1.7804 -2.9525 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8395 1.4992 -2.8935 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1483 2.2637 -1.8196 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6466 1.9521 -1.8615 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3268 0.5181 -1.6717 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8774 0.2346 -1.6583 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0255 0.6518 -0.5405 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9751 2.0627 -0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9587 2.3205 0.9813 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5586 2.0107 0.6257 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1176 2.8187 -0.5579 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6834 2.6156 -0.8923 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8858 3.4975 -0.4328 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 1.6009 -1.6224 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1594 1.3421 -1.9453 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0063 0.8298 -0.8513 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9811 1.5547 0.4474 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8115 0.7562 1.3188 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8244 1.6030 2.8092 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.3911 1.7040 3.2943 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7591 0.7609 3.9240 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4213 3.1579 2.5675 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2839 3.9587 3.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8423 5.3405 3.3382 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0395 5.8131 2.2236 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7842 6.2462 4.4912 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0829 7.2959 4.3764 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4536 5.9995 5.6745 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3691 0.7226 -1.2400 O 0 0 0 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