HMDB0254512 RDKit 3D METESIND 55 59 0 0 0 0 0 0 0 0999 V2000 -0.8649 1.9354 -1.1469 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7513 1.4815 -0.1045 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2698 1.5061 1.2583 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0258 0.7434 1.4674 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9069 1.2417 2.3991 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0836 0.5747 2.6489 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4299 -0.6084 2.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9330 -1.3866 2.4048 S 0 0 0 0 0 6 0 0 0 0 0 0 3.7427 -2.8662 2.1142 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2728 -1.3007 3.8677 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2040 -0.8294 1.4298 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9369 -1.1195 0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0942 -0.6703 -0.8437 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2863 0.7014 -0.7248 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5354 1.0491 0.5917 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4966 0.5715 1.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5184 -1.0949 1.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3213 -0.4290 0.8438 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0574 1.0811 -0.4039 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1295 1.7055 0.2585 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4465 1.3614 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7507 0.3596 -0.8701 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7097 -0.2504 -1.5169 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1395 -1.1944 -2.3645 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1878 -1.8893 -3.0866 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8497 -1.5664 -2.8893 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4308 -0.5997 -2.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4042 0.0911 -1.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6069 -1.1931 -2.2505 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4732 -2.0424 -2.9757 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9309 -0.2732 -1.3689 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3739 2.0387 -2.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0981 1.3668 -1.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 2.9760 -0.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1101 2.6080 1.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0683 1.2219 1.9846 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6489 2.1734 2.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7959 0.9720 3.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0348 -0.6284 -0.3475 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8786 -2.2360 -0.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9995 -1.2675 -0.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7539 -0.8529 -1.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5735 2.1550 0.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5549 0.6916 0.8626 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7915 0.8901 2.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5470 1.1216 1.3383 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7634 -2.0215 0.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3540 -0.8503 0.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8436 2.4840 0.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2456 1.8455 0.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5281 -2.6523 -3.7724 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0845 -2.1136 -3.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4246 -0.3212 -1.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1972 -2.9827 -3.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4334 -1.7078 -3.2138 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 2 0 8 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 7 17 1 0 17 18 2 0 2 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 24 29 1 0 29 30 1 0 29 31 2 0 18 4 1 0 28 19 1 0 16 11 1 0 31 22 1 0 28 23 1 0 1 32 1 0 1 33 1 0 1 34 1 0 3 35 1 0 3 36 1 0 5 37 1 0 6 38 1 0 12 39 1 0 12 40 1 0 13 41 1 0 13 42 1 0 15 43 1 0 15 44 1 0 16 45 1 0 16 46 1 0 17 47 1 0 18 48 1 0 20 49 1 0 21 50 1 0 25 51 1 0 26 52 1 0 27 53 1 0 30 54 1 0 30 55 1 0 M END