HMDB0067641 RDKit 3D TG(i-22:0/a-17:0/i-18:0)[rac] 182181 0 0 0 0 0 0 0 0999 V2000 -3.1018 -1.7563 -4.7394 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6582 -1.4006 -4.5598 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3830 0.0684 -4.8015 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2398 0.8210 -3.7781 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0615 0.4351 -4.5534 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0014 -0.3213 -5.4274 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4545 -0.0078 -5.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9097 -0.2557 -3.8208 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3977 -0.0011 -3.7457 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9440 -0.2055 -2.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3922 0.7727 -1.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8751 0.5111 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3960 -0.8052 0.5413 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8258 -1.1559 1.9373 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1674 -2.4882 2.3149 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 -2.9551 3.6809 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8303 -4.2157 4.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1605 -4.9331 5.0177 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7532 -4.6138 3.2865 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9502 -5.7163 3.4332 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5854 -5.4273 3.8982 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2292 -4.6000 3.1144 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5329 -4.3815 3.6643 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8603 -4.9066 4.7548 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5004 -3.5363 2.9519 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5896 -2.1192 3.4409 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4934 -1.2853 2.5476 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4833 0.1420 3.0307 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2869 1.0524 2.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2298 2.4737 2.5892 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9223 3.4703 1.7007 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3241 3.4674 0.3062 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9340 4.5063 -0.6019 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3555 4.4649 -1.9783 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8482 4.6438 -2.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3222 4.5910 -3.4165 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8396 4.6872 -3.4826 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3227 5.9521 -2.9015 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2149 6.0078 -2.9903 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6507 7.2897 -2.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1352 7.5104 -2.4015 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 7.5131 -3.7595 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2624 7.7366 -3.5647 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0096 7.7615 -4.8712 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5595 9.0039 -2.8203 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0985 -6.7844 2.3668 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1355 -7.7361 2.4755 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9316 -8.9417 1.8051 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7634 -9.2722 0.9760 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2619 -9.7288 2.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -9.6491 1.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8837 -8.2800 0.8002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9772 -7.6269 -0.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4504 -6.1962 -0.4744 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6228 -5.6045 -1.5715 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9151 -4.1476 -1.7981 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4138 -3.4086 -0.5917 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6507 -1.9013 -0.6538 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 -1.2748 0.5914 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2384 0.2173 0.6311 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4705 0.7941 1.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2503 2.2800 1.8866 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9718 2.9392 3.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 2.4864 4.3853 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8477 2.7333 4.7062 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5318 3.1490 5.4106 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6217 -1.1864 -5.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1415 -2.8475 -5.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6665 -1.7149 -3.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0846 -2.0123 -5.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3765 -1.6543 -3.5377 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7526 0.3478 -5.8031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0130 1.4011 -4.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6886 0.1127 -3.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6079 1.4991 -3.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1896 1.5003 -4.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2652 0.1494 -3.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8461 -1.4169 -5.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6686 -0.1442 -6.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0365 -0.5882 -5.9885 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5886 1.0571 -5.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3179 0.4021 -3.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7467 -1.3316 -3.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8920 -0.7139 -4.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5726 1.0149 -4.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8180 -1.2610 -2.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0478 -0.0102 -2.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3027 0.9109 -1.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8288 1.7829 -1.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5176 1.3120 0.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9804 0.5466 0.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8132 -1.6247 -0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3109 -0.9320 0.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9420 -1.2773 1.9565 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5695 -0.3465 2.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3790 -3.1996 1.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0774 -2.2723 2.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6303 -3.1219 3.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3421 -2.1565 4.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4289 -6.2589 4.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6231 -4.9116 4.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0102 -6.3778 4.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5124 -4.0365 3.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4096 -3.5663 1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9975 -2.1561 4.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6093 -1.6566 3.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1267 -1.3956 1.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5157 -1.7311 2.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4325 0.4970 3.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8824 0.1613 4.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3432 0.7111 2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9876 0.9181 1.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7714 2.5023 3.5818 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1767 2.7903 2.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9934 3.2088 1.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8717 4.4830 2.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2439 3.6786 0.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5162 2.4822 -0.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8970 5.4946 -0.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0293 4.2717 -0.7116 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6635 3.5111 -2.4643 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7562 5.2907 -2.6224 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4159 3.7860 -1.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6453 5.6144 -1.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7282 3.6805 -3.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8282 5.4381 -3.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5761 4.6909 -4.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3245 3.7774 -3.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6825 6.8169 -3.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 5.9796 -1.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4587 6.0090 -4.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6079 5.0947 -2.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1159 8.1207 -2.8828 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3307 7.2983 -1.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3126 8.5168 -1.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6367 6.7792 -1.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4203 8.3984 -4.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6055 6.6215 -4.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6772 6.8686 -2.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0132 7.2699 -4.7388 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4703 7.3090 -5.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2766 8.8313 -5.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8141 9.8057 -2.9872 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6401 8.8023 -1.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5465 9.4393 -3.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1394 -6.3420 1.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1043 -7.2594 2.5019 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0058 -10.8303 2.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6573 -9.4392 3.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2582 -10.2167 0.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3004 -10.1378 1.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0553 -7.6004 1.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8916 -8.3531 0.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0865 -7.6458 -0.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1285 -8.1475 -1.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4011 -5.6690 0.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4992 -6.2800 -0.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4698 -5.7657 -1.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 -6.1866 -2.5217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9908 -3.9620 -2.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3225 -3.8105 -2.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7463 -3.8491 0.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7197 -3.5906 -0.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7418 -1.7512 -0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0876 -1.5378 -1.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0503 -1.4654 0.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5688 -1.7258 1.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2532 0.6510 -0.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3046 0.4955 0.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0246 0.3747 2.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 0.6134 1.8373 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8484 2.5099 2.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5268 2.7580 0.9455 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8362 4.0431 2.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0589 2.7596 2.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8461 1.3870 4.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9017 3.2235 5.7077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2149 3.4665 3.9704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3849 1.7743 4.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4704 4.2399 5.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5668 2.8560 5.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3019 2.7610 6.4286 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 3 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 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 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 33 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 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 43 45 1 0 20 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 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 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 64 65 1 0 64 66 1 0 1 67 1 0 1 68 1 0 1 69 1 0 2 70 1 0 2 71 1 0 3 72 1 0 4 73 1 0 4 74 1 0 4 75 1 0 5 76 1 0 5 77 1 0 6 78 1 0 6 79 1 0 7 80 1 0 7 81 1 0 8 82 1 0 8 83 1 0 9 84 1 0 9 85 1 0 10 86 1 0 10 87 1 0 11 88 1 0 11 89 1 0 12 90 1 0 12 91 1 0 13 92 1 0 13 93 1 0 14 94 1 0 14 95 1 0 15 96 1 0 15 97 1 0 16 98 1 0 16 99 1 0 20100 1 1 21101 1 0 21102 1 0 25103 1 0 25104 1 0 26105 1 0 26106 1 0 27107 1 0 27108 1 0 28109 1 0 28110 1 0 29111 1 0 29112 1 0 30113 1 0 30114 1 0 31115 1 0 31116 1 0 32117 1 0 32118 1 0 33119 1 0 33120 1 0 34121 1 0 34122 1 0 35123 1 0 35124 1 0 36125 1 0 36126 1 0 37127 1 0 37128 1 0 38129 1 0 38130 1 0 39131 1 0 39132 1 0 40133 1 0 40134 1 0 41135 1 0 41136 1 0 42137 1 0 42138 1 0 43139 1 0 44140 1 0 44141 1 0 44142 1 0 45143 1 0 45144 1 0 45145 1 0 46146 1 0 46147 1 0 50148 1 0 50149 1 0 51150 1 0 51151 1 0 52152 1 0 52153 1 0 53154 1 0 53155 1 0 54156 1 0 54157 1 0 55158 1 0 55159 1 0 56160 1 0 56161 1 0 57162 1 0 57163 1 0 58164 1 0 58165 1 0 59166 1 0 59167 1 0 60168 1 0 60169 1 0 61170 1 0 61171 1 0 62172 1 0 62173 1 0 63174 1 0 63175 1 0 64176 1 0 65177 1 0 65178 1 0 65179 1 0 66180 1 0 66181 1 0 66182 1 0 M END