HMDB0240248 RDKit 3D Pyrrobutamine 44 46 0 0 0 0 0 0 0 0999 V2000 -6.4110 -2.3004 0.9668 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.7670 -1.8997 0.4984 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7298 -1.9263 1.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4363 -1.6152 1.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1268 -1.2566 -0.2511 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7635 -0.9578 -0.6648 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 0.2577 -0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7218 0.0843 0.9122 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1952 -1.2112 1.3736 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6116 -1.4280 1.1601 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4183 -0.5729 2.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8068 -0.8242 1.4054 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4653 -0.5814 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0166 -1.0016 -0.1686 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6055 1.5936 -0.3859 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4306 1.8038 -1.4634 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8909 3.0866 -1.8251 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4974 4.1582 -1.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6811 3.9890 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2387 2.6962 0.3368 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1791 -1.2450 -1.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4855 -1.5523 -0.8005 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9752 -2.2048 2.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6365 -1.6390 1.8005 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0326 -1.7637 -0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8218 -0.7478 -1.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1497 1.0132 1.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0168 -1.2332 2.5165 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6316 -2.0449 0.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2126 0.5053 1.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4335 -0.9003 3.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5454 -0.0941 1.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0725 -1.8813 1.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5626 0.5125 -0.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1226 -1.1446 -0.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4007 -0.1163 -0.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8745 -1.8619 -0.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7293 0.9654 -2.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5379 3.1933 -2.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8386 5.1775 -1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3530 4.8394 0.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4028 2.6433 1.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0274 -0.9865 -2.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2891 -1.5283 -1.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 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 7 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 5 21 1 0 21 22 2 0 22 2 1 0 14 10 1 0 20 15 1 0 3 23 1 0 4 24 1 0 6 25 1 0 6 26 1 0 8 27 1 0 9 28 1 0 9 29 1 0 11 30 1 0 11 31 1 0 12 32 1 0 12 33 1 0 13 34 1 0 13 35 1 0 14 36 1 0 14 37 1 0 16 38 1 0 17 39 1 0 18 40 1 0 19 41 1 0 20 42 1 0 21 43 1 0 22 44 1 0 M END