HMDB0094676 RDKit 3D Val-Val-Val 51 50 0 0 0 0 0 0 0 0999 V2000 -3.2606 1.8028 3.8799 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7304 1.7059 2.4708 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9984 2.6977 1.6067 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5826 0.3427 1.8579 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0823 0.4272 0.4992 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2022 -0.1602 1.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5179 -0.3347 2.8978 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5678 -0.4784 0.6299 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1772 -0.9888 0.5619 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 -0.0718 -0.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1018 0.9325 -0.7591 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0455 -0.2194 -0.3970 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8268 0.7356 -1.1872 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8474 1.3809 -0.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9302 1.0682 0.9002 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7312 2.3290 -0.7951 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4588 0.0667 -2.3802 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4145 -0.5231 -3.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2808 1.0526 -3.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2794 -2.3847 0.0174 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9962 -3.1264 -0.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2135 -3.2432 0.8606 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2168 2.2178 3.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3878 0.8893 4.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8935 2.5919 4.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8130 1.9702 2.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4436 3.7064 1.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9155 2.7543 1.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1132 2.4510 0.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2249 -0.4084 2.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2659 -0.4773 0.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8186 1.1462 0.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 -0.3495 -0.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1619 -1.0391 1.6161 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5636 -1.0120 0.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1421 1.5229 -1.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6123 2.5051 -0.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -0.7554 -2.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0193 -1.4929 -2.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5524 0.1693 -3.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8145 -0.7220 -4.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2593 0.8440 -4.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3323 1.1017 -2.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8689 2.0932 -3.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 -2.2945 -1.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6681 -3.0564 0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8108 -4.2500 -0.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6006 -2.8903 -1.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1003 -4.3061 0.6574 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2666 -2.8934 0.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9254 -3.0270 1.9309 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 4 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 13 17 1 0 17 18 1 0 17 19 1 0 9 20 1 0 20 21 1 0 20 22 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 8 33 1 0 9 34 1 0 12 35 1 0 13 36 1 0 16 37 1 0 17 38 1 0 18 39 1 0 18 40 1 0 18 41 1 0 19 42 1 0 19 43 1 0 19 44 1 0 20 45 1 0 21 46 1 0 21 47 1 0 21 48 1 0 22 49 1 0 22 50 1 0 22 51 1 0 M END