HMDB0061574 RDKit 3D PS(DiMe(13,5)/DiMe(9,5)) 150151 0 0 0 0 0 0 0 0999 V2000 -3.3648 -1.9166 -4.2952 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7478 -1.4267 -5.6074 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4421 -0.7048 -5.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8106 -0.2195 -6.6163 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4819 0.5046 -6.3749 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5092 -0.3255 -5.6993 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6098 -1.6215 -5.5807 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6594 -1.9938 -4.9103 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1560 -3.3370 -4.5448 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7574 -3.5825 -3.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2573 -3.5072 -3.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5743 -3.7586 -1.7636 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9369 -5.1530 -1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2492 -5.6149 -0.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3488 -5.0255 1.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5686 -5.0560 2.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8309 -4.4196 1.6741 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8273 -2.9299 1.4941 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2587 -2.4733 1.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3934 -1.0135 1.0428 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8391 -0.1198 2.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3357 -0.5411 3.1114 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8800 1.2332 1.8116 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2990 2.1336 2.7348 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4798 3.5598 2.1768 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4481 4.3840 2.9449 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3317 5.6763 2.4725 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 6.3732 3.3852 P 0 0 0 0 0 5 0 0 0 0 0 0 1.0879 7.8531 3.1161 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2577 6.0779 5.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4278 5.7321 2.7936 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3300 6.7708 2.6054 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6335 6.2258 2.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2341 5.2538 2.9320 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4862 5.6475 0.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9036 6.2937 -0.1908 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9904 4.3966 0.4138 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0720 3.5207 0.7951 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9665 3.9761 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0867 4.4281 0.2435 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6031 3.9139 -1.5845 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2953 4.4933 -1.9721 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1120 3.8576 -1.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 2.3755 -1.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0155 1.6345 -0.9808 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1119 1.8211 0.5163 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2947 0.9984 0.9754 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4936 1.2049 2.4623 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6429 0.3856 2.9592 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8631 0.7216 3.2039 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6010 -0.2901 3.6322 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0106 -0.2316 3.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0716 -0.4915 3.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1862 -1.7401 2.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1639 -2.1023 1.2707 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0328 -1.0631 0.1646 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7566 -1.3851 3.6642 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0888 -2.7786 4.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5268 -0.9516 3.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3348 -1.8599 3.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3208 -0.8351 -4.5470 C 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