COMPND HMD 4-(5-AMINO-4-OXO-4H-PYRAZOL-3-YL)-2-BROMO-4,5,6,7- TETRAHYDRO-3AH-PYRROLO(2,3-C)AZEPIN-8-ONE; HYMENIALDISINE REMARK HMD Part of HIC-Up: http://xray.bmc.uu.se/hicup REMARK HMD Extracted from PDB file pdb1dm2.ent REMARK HMD Formula C11 H10 BR N5 O2 REMARK HMD Nr of non-hydrogen atoms 19 REMARK HMD Eigen-values covariance X/Y/Z 130.4 59.0 1.2 REMARK HMD Residue type HMD REMARK HMD Residue name 4246 REMARK HMD Original residue name (for O) $400 REMARK HMD RESOLUTION. 2.10 ANGSTROMS. REMARK HMD occurs in 1 other PDB entries REMARK HMD Also in 2.5-3.0A : 2PMO REMARK HMD Resolution (A) : 2.90 REMARK HMD HETATM 1 BR1 HMD 4246 2.503 0.121 -2.247 1.00 20.00 BR+0 HETATM 2 O1 HMD 4246 -3.306 -0.781 -2.746 1.00 20.00 O+0 HETATM 3 O2 HMD 4246 -0.436 -2.354 2.873 1.00 20.00 O+0 HETATM 4 N1 HMD 4246 -0.350 -0.099 -2.191 1.00 20.00 N+0 HETATM 5 N2 HMD 4246 -3.550 0.669 -1.079 1.00 20.00 N+0 HETATM 6 N3 HMD 4246 0.836 -0.724 3.874 1.00 20.00 N+0 HETATM 7 N4 HMD 4246 0.181 0.991 2.629 1.00 20.00 N+0 HETATM 8 N5 HMD 4246 1.798 1.385 4.378 1.00 20.00 N+0 HETATM 9 C1 HMD 4246 0.798 -0.245 -1.515 1.00 20.00 C+0 HETATM 10 C2 HMD 4246 0.603 -0.681 -0.263 1.00 20.00 C+0 HETATM 11 C3 HMD 4246 -0.895 -0.856 -0.151 1.00 20.00 C+0 HETATM 12 C4 HMD 4246 -1.398 -0.352 -1.469 1.00 20.00 C+0 HETATM 13 C5 HMD 4246 -2.813 -0.175 -1.814 1.00 20.00 C+0 HETATM 14 C6 HMD 4246 -3.007 1.595 -0.170 1.00 20.00 C+0 HETATM 15 C7 HMD 4246 -1.690 1.429 0.544 1.00 20.00 C+0 HETATM 16 C8 HMD 4246 -1.457 -0.019 1.012 1.00 20.00 C+0 HETATM 17 C9 HMD 4246 -0.474 -0.025 2.154 1.00 20.00 C+0 HETATM 18 C10 HMD 4246 -0.054 -1.207 2.983 1.00 20.00 C+0 HETATM 19 C11 HMD 4246 0.976 0.573 3.662 1.00 20.00 C+0 REMARK HMD ENDHET