HMDB0248936 RDKit 3D bemegride 24 24 0 0 0 0 0 0 0 0999 V2000 -2.6581 -0.1508 -0.5264 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3542 -0.8730 -0.4698 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1874 -0.0544 -0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4339 0.4832 1.3652 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2122 1.0313 -0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4112 1.7024 -0.4127 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5716 2.9397 -0.5581 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3901 0.9605 0.2990 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2177 -0.3012 0.5202 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1548 -1.0538 1.2121 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0036 -1.0106 0.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5963 0.9314 -0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1898 -0.3185 -1.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3582 -0.5400 0.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1667 -1.3147 -1.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4370 -1.7357 0.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6012 -0.3851 2.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4641 1.0698 1.7064 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 1.1290 1.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5395 1.7928 -1.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5525 0.5237 -1.9242 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9063 -1.5679 0.7567 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7682 -1.9000 0.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -1.3581 -0.9892 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 2 0 6 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 3 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 4 17 1 0 4 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 10 22 1 0 11 23 1 0 11 24 1 0 M END