HMDB0190149 RDKit 3D CL(10:0/a-13:0/a-13:0/16:0) 198197 0 0 0 0 0 0 0 0999 V2000 -3.8781 0.0799 4.2492 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2373 1.4382 4.4798 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8419 1.3130 5.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2324 2.6614 5.2299 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1351 3.5118 3.9949 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4699 4.8536 4.3639 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3528 5.7278 3.1617 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2864 7.0486 3.4066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7214 6.8386 3.9484 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3996 8.1226 4.1293 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7056 8.2883 4.7279 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9701 7.7202 4.3478 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3082 6.3014 4.5027 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6016 5.2252 3.8167 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6572 5.2694 2.2951 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7785 4.1883 1.8066 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0164 3.5705 2.5977 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7249 3.7883 0.4744 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8118 2.7583 0.0860 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5991 1.4629 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3057 1.2281 1.0194 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1003 0.1489 1.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2233 -0.7463 0.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8224 0.0341 2.5913 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5204 -1.2756 2.7748 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5787 -2.4667 2.8423 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3391 -3.7470 3.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4854 -4.9640 3.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6019 -4.8840 4.3935 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7662 -6.1184 4.5684 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9119 -6.0753 5.7965 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9481 -4.9419 5.7735 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9972 -5.0258 4.5852 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1257 -4.7794 7.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9686 -4.5273 8.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9922 3.1728 -1.0799 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3208 4.3449 -0.7527 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3769 4.9568 -1.9958 P 0 0 0 0 0 5 0 0 0 0 0 0 0.4900 4.1321 -3.2753 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9851 6.5040 -2.3849 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2368 5.1007 -1.5283 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0521 5.1318 -2.6587 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5270 5.2045 -2.2432 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2667 5.1929 -3.3996 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8415 3.9200 -1.4561 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4784 2.8285 -2.2046 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6638 1.3416 -1.4665 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.9680 0.6997 -1.8119 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5482 1.4659 0.2331 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3905 0.3119 -1.9456 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9016 -0.8772 -2.3987 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6945 -1.6914 -2.8762 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7406 -1.8999 -1.7532 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2879 -2.4798 -0.5776 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4745 -2.6878 0.5133 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -2.3262 0.3174 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8538 -3.2383 1.7876 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8363 -4.3363 1.8549 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1674 -3.9536 1.3146 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1684 -5.0921 1.4375 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5124 -4.7223 0.9214 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5020 -4.3648 -0.5427 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9238 -4.0132 -0.9918 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8542 -3.6671 -2.4599 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9329 -2.4834 -2.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1948 -2.9249 -3.3424 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9430 -3.2892 -4.7048 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2713 -2.4419 -5.3368 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4854 -4.5485 -5.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3140 -5.0448 -6.5049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8325 -4.3525 -7.6763 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3673 -3.0295 -8.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8984 -2.9808 -8.4793 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4324 -1.6613 -9.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6638 -0.5405 -8.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 0.7662 -8.5639 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4646 1.9114 -7.6623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9588 2.0699 -7.3909 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3699 2.1214 -6.4741 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4169 1.0828 -5.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1279 -0.7072 4.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7452 -0.0298 4.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1928 -0.0096 3.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1810 2.0038 3.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8229 2.0733 5.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2168 0.6769 4.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8804 0.7751 5.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2261 2.5567 5.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8617 3.1629 6.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1246 3.7166 3.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5041 2.9798 3.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5646 4.5341 4.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0436 5.2617 5.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 5.1926 2.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4093 5.8795 2.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2616 7.5740 4.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3035 7.6980 2.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6423 6.2037 4.8221 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1896 6.3003 3.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6304 8.8136 4.6521 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4589 8.6460 3.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5722 8.0100 5.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8929 9.4331 4.9119 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8211 8.2918 4.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1685 8.0435 3.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4460 6.1442 4.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2248 6.0627 5.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6410 4.9365 4.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2695 4.2755 4.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2853 6.2245 1.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7185 5.1226 1.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 2.5150 0.9516 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2404 1.5425 -1.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8668 0.6612 -0.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1064 0.2121 3.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5795 0.8421 2.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1891 -1.2795 3.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1929 -1.4100 1.8937 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9882 -2.5182 1.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9120 -2.2997 3.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0199 -3.8409 2.1328 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0306 -3.6464 3.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1039 -5.8791 3.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8005 -5.0042 2.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9853 -3.9638 4.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3045 -4.7215 5.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4456 -6.9990 4.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1874 -6.2589 3.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3854 -7.0547 5.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5937 -5.9479 6.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5337 -3.9986 5.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3101 -4.1584 4.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5522 -4.9014 3.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3861 -5.9352 4.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5087 -3.8443 6.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4026 -5.5849 7.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7683 -5.2606 8.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2966 -4.5359 9.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3756 -3.4720 8.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1739 2.3973 -1.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5071 3.1780 -2.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0258 6.6566 -3.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9493 4.2572 -3.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8559 6.0421 -3.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7690 6.0470 -1.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7013 5.2419 -4.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4337 3.9551 -0.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9584 3.8994 -1.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8218 2.0959 0.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3551 -1.4507 -1.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5865 -0.7922 -3.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1758 -1.1318 -3.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1463 -2.5235 -2.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2838 -0.9241 -1.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1118 -3.5238 2.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2623 -2.4123 2.4493 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4643 -5.1882 1.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8746 -4.7252 2.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5809 -3.0343 1.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0509 -3.7858 0.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7351 -5.9885 0.9472 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2545 -5.3650 2.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2905 -5.4823 1.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8149 -3.7843 1.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9016 -3.4424 -0.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1556 -5.1939 -1.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1869 -3.0677 -0.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6328 -4.8340 -0.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8658 -3.4042 -2.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4812 -4.4911 -3.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4176 -1.7837 -3.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9611 -2.7725 -3.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7233 -1.9337 -1.7623 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9613 -5.3404 -4.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5821 -4.6092 -4.8021 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2223 -5.3446 -6.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8094 -6.0953 -6.5115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8844 -5.0340 -8.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9660 -4.2114 -7.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8829 -2.8544 -9.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6988 -2.1718 -7.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6775 -3.7392 -9.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3220 -3.3578 -7.6142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6070 -1.6790 -9.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0642 -1.4334 -9.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0217 -0.8015 -7.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7262 -0.4434 -7.8021 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9256 0.7292 -8.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 0.9943 -9.5614 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2528 2.8358 -8.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2966 1.4528 -6.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1847 3.1312 -7.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4724 1.7083 -8.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4201 2.3902 -6.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0695 3.0824 -5.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2735 0.4086 -5.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6305 1.5234 -4.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4870 0.4975 -5.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 19 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 38 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 52 66 1 0 66 67 1 0 67 68 2 0 67 69 1 0 69 70 1 0 70 71 1 0 71 72 1 0 72 73 1 0 73 74 1 0 74 75 1 0 75 76 1 0 76 77 1 0 77 78 1 0 77 79 1 0 79 80 1 0 1 81 1 0 1 82 1 0 1 83 1 0 2 84 1 0 2 85 1 0 3 86 1 0 3 87 1 0 4 88 1 0 4 89 1 0 5 90 1 0 5 91 1 0 6 92 1 0 6 93 1 0 7 94 1 0 7 95 1 0 8 96 1 0 8 97 1 0 9 98 1 0 9 99 1 0 10100 1 0 10101 1 0 11102 1 0 11103 1 0 12104 1 0 12105 1 0 13106 1 0 13107 1 0 14108 1 0 14109 1 0 15110 1 0 15111 1 0 19112 1 1 20113 1 0 20114 1 0 24115 1 0 24116 1 0 25117 1 0 25118 1 0 26119 1 0 26120 1 0 27121 1 0 27122 1 0 28123 1 0 28124 1 0 29125 1 0 29126 1 0 30127 1 0 30128 1 0 31129 1 0 31130 1 0 32131 1 0 33132 1 0 33133 1 0 33134 1 0 34135 1 0 34136 1 0 35137 1 0 35138 1 0 35139 1 0 36140 1 0 36141 1 0 40142 1 0 42143 1 0 42144 1 0 43145 1 1 44146 1 0 45147 1 0 45148 1 0 49149 1 0 51150 1 0 51151 1 0 52152 1 6 53153 1 0 53154 1 0 57155 1 0 57156 1 0 58157 1 0 58158 1 0 59159 1 0 59160 1 0 60161 1 0 60162 1 0 61163 1 0 61164 1 0 62165 1 0 62166 1 0 63167 1 0 63168 1 0 64169 1 0 64170 1 0 65171 1 0 65172 1 0 65173 1 0 69174 1 0 69175 1 0 70176 1 0 70177 1 0 71178 1 0 71179 1 0 72180 1 0 72181 1 0 73182 1 0 73183 1 0 74184 1 0 74185 1 0 75186 1 0 75187 1 0 76188 1 0 76189 1 0 77190 1 0 78191 1 0 78192 1 0 78193 1 0 79194 1 0 79195 1 0 80196 1 0 80197 1 0 80198 1 0 M END