HMDB0191389 RDKit 3D CL(10:0/i-14:0/15:0/i-15:0) 204203 0 0 0 0 0 0 0 0999 V2000 2.3119 0.5093 -2.6473 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2859 0.2549 -1.5705 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0263 1.0176 -1.9279 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0519 0.8095 -0.8795 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6259 1.2631 0.4767 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3342 2.7589 0.4901 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1382 3.0802 1.8695 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 4.4772 2.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5864 5.1595 1.4612 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9778 4.7442 1.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4880 3.4576 1.1072 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3711 3.2140 -0.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0868 4.2174 -1.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9106 4.0175 -2.6877 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5138 4.1669 -3.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6314 4.4301 -2.2396 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0306 4.0513 -4.4084 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6158 4.2312 -4.6507 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2854 4.1654 -6.1073 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1735 4.4863 -6.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0080 3.5525 -5.6395 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6264 4.0142 -5.8347 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.7514 5.4119 -5.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9634 4.2049 -7.4829 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6962 2.9992 -5.0837 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5961 2.9167 -3.7103 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6313 1.9774 -3.1328 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5320 0.6847 -3.6031 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6958 2.0722 -1.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6016 1.5209 -0.9921 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8306 1.7168 0.6638 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.8053 2.6235 1.2968 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3497 2.4471 0.9570 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8395 0.2370 1.5008 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5475 0.4350 2.8448 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6189 -0.8465 3.5939 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8432 -1.9969 3.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4462 -1.8827 3.3471 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6295 -2.9356 2.9107 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1614 -3.9070 2.2719 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1941 -2.9937 3.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6514 -2.5989 1.9857 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1245 -2.7003 2.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0409 -2.2942 1.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4898 -2.4489 1.6222 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4790 -2.0565 0.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3995 -0.6031 0.1619 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4735 -0.3851 -0.8771 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5115 1.0443 -1.3763 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3623 -0.7258 4.9601 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3058 -0.9472 5.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4666 -1.2811 5.5881 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0458 -0.8126 7.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5770 -0.6632 7.7063 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7791 -1.8591 7.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -1.5562 7.6724 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4713 -2.7362 7.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9550 -2.7030 7.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8970 -1.7750 6.9938 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7233 -0.2951 7.1949 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8727 0.4021 6.4826 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9049 1.8598 6.4778 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9907 2.5325 7.7965 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8763 2.3324 8.7521 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1840 4.0556 7.6035 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6127 2.9343 -6.6787 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6098 2.8325 -7.6671 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1726 3.9296 -7.9639 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9660 1.5692 -8.2938 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6213 0.5465 -7.4434 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7869 0.0037 -6.3106 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5378 -0.6712 -6.8427 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3219 -1.3000 -5.7869 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4273 -2.3634 -5.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4824 -3.0136 -3.9817 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2663 -4.0431 -3.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6142 -4.7118 -2.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7511 -5.4542 -2.8481 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6168 -6.1586 -1.8179 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7438 -6.9040 -2.4511 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5764 -7.6006 -1.4037 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6641 -5.9840 -3.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3229 0.7545 -2.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4962 -0.4146 -3.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0357 1.3288 -3.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0611 -0.8130 -1.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7273 0.5794 -0.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3579 0.5733 -2.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2277 2.0771 -2.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8855 1.4924 -1.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4119 -0.2256 -0.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1852 0.6865 0.9373 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5151 1.1145 1.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 2.9995 -0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3324 3.2807 0.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8474 2.3026 2.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7866 2.8668 2.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4748 5.0805 1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5846 4.5604 3.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2914 5.2275 0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5595 6.2715 1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6177 5.6205 1.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2137 4.7659 2.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5922 3.4294 1.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0665 2.6164 1.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9671 2.2297 -0.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4017 2.9601 -0.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8322 5.2822 -0.9241 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1990 4.1718 -0.9976 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5447 4.7180 -3.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3257 2.9894 -2.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1353 3.3461 -4.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 5.1206 -4.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 4.9605 -6.6357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3467 5.4594 -5.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4698 4.6744 -7.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5635 3.4840 -7.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5608 2.6518 -3.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8185 3.9355 -3.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6174 2.3586 -3.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1826 0.0764 -2.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5907 1.4689 -1.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8943 3.1087 -1.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3925 2.7874 1.8906 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3573 1.1052 3.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5989 0.9978 2.9852 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7175 -1.1776 3.5257 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0107 -2.2028 1.9855 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1830 -2.9139 3.6099 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0513 -4.0708 3.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1151 -2.3795 4.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4228 -1.6223 1.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 -3.3832 1.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 -3.7652 2.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3410 -2.1239 3.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8597 -3.0049 0.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8925 -1.2499 0.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7172 -3.4902 1.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 -1.8148 2.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4510 -2.7211 -0.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5013 -2.2088 1.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4340 -0.3039 -0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6252 0.0262 1.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2893 -1.0377 -1.7757 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4832 -0.6408 -0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2908 1.7103 -0.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5583 1.2735 -1.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8568 1.2230 -2.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6110 0.0317 7.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4111 -1.7379 7.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5056 -0.5642 8.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1529 0.2669 7.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0371 -2.7541 7.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8481 -2.0010 6.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1005 -0.6355 7.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2536 -1.3980 8.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9498 -3.6376 7.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6064 -2.9795 6.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0924 -2.5400 8.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3861 -3.7830 7.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9372 -1.9514 5.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9581 -2.0560 7.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7475 -0.1232 8.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8248 0.1429 6.7914 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8247 0.0455 5.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8223 -0.0551 6.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8055 2.2551 5.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0446 2.2985 5.8695 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9646 2.1798 8.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9229 1.9979 8.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6194 3.3394 9.2364 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2111 1.6814 9.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1968 4.5502 7.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8056 4.4557 8.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6581 4.2430 6.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7224 1.8233 -9.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 1.1653 -8.8735 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 0.9224 -7.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8997 -0.3401 -8.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5739 0.8126 -5.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3849 -0.7481 -5.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0442 0.0834 -7.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8182 -1.4852 -7.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 -0.5365 -5.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1761 -1.7935 -6.2952 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3496 -2.0178 -4.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7106 -3.2182 -5.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8369 -2.2080 -3.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3091 -3.4689 -4.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1077 -3.5773 -2.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7221 -4.8290 -3.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 -5.3942 -1.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0741 -3.9073 -1.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3447 -4.7221 -3.4334 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3241 -6.1637 -3.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9433 -6.8346 -1.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9840 -5.3988 -1.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3352 -7.6538 -3.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6235 -7.2445 -1.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5495 -8.7177 -1.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1161 -7.4469 -0.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3056 -5.8351 -4.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6182 -6.5670 -3.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9144 -5.0710 -2.7039 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 2 0 15 17 1 0 17 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 22 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 31 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 36 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 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 63 65 1 0 19 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 78 79 1 0 79 80 1 0 80 81 1 0 80 82 1 0 1 83 1 0 1 84 1 0 1 85 1 0 2 86 1 0 2 87 1 0 3 88 1 0 3 89 1 0 4 90 1 0 4 91 1 0 5 92 1 0 5 93 1 0 6 94 1 0 6 95 1 0 7 96 1 0 7 97 1 0 8 98 1 0 8 99 1 0 9100 1 0 9101 1 0 10102 1 0 10103 1 0 11104 1 0 11105 1 0 12106 1 0 12107 1 0 13108 1 0 13109 1 0 14110 1 0 14111 1 0 18112 1 0 18113 1 0 19114 1 6 20115 1 0 20116 1 0 24117 1 0 26118 1 0 26119 1 0 27120 1 6 28121 1 0 29122 1 0 29123 1 0 33124 1 0 35125 1 0 35126 1 0 36127 1 1 37128 1 0 37129 1 0 41130 1 0 41131 1 0 42132 1 0 42133 1 0 43134 1 0 43135 1 0 44136 1 0 44137 1 0 45138 1 0 45139 1 0 46140 1 0 46141 1 0 47142 1 0 47143 1 0 48144 1 0 48145 1 0 49146 1 0 49147 1 0 49148 1 0 53149 1 0 53150 1 0 54151 1 0 54152 1 0 55153 1 0 55154 1 0 56155 1 0 56156 1 0 57157 1 0 57158 1 0 58159 1 0 58160 1 0 59161 1 0 59162 1 0 60163 1 0 60164 1 0 61165 1 0 61166 1 0 62167 1 0 62168 1 0 63169 1 0 64170 1 0 64171 1 0 64172 1 0 65173 1 0 65174 1 0 65175 1 0 69176 1 0 69177 1 0 70178 1 0 70179 1 0 71180 1 0 71181 1 0 72182 1 0 72183 1 0 73184 1 0 73185 1 0 74186 1 0 74187 1 0 75188 1 0 75189 1 0 76190 1 0 76191 1 0 77192 1 0 77193 1 0 78194 1 0 78195 1 0 79196 1 0 79197 1 0 80198 1 0 81199 1 0 81200 1 0 81201 1 0 82202 1 0 82203 1 0 82204 1 0 M END