COMPND MGR MALACHITE GREEN REMARK MGR Part of HIC-Up: http://xray.bmc.uu.se/hicup REMARK MGR Extracted from PDB file pdb1jup.ent REMARK MGR Formula C23 H25 N2 1+ REMARK MGR Nr of non-hydrogen atoms 25 REMARK MGR Eigen-values covariance X/Y/Z 290.8 141.0 9.6 REMARK MGR Residue type MGR REMARK MGR Residue name 5152 REMARK MGR Original residue name (for O) $200 REMARK MGR RESOLUTION. 2.95 ANGSTROMS. REMARK MGR occurs in 1 other PDB entries REMARK MGR Also in >3.0A : 1Q8N REMARK MGR Resolution (A) : 9.99 REMARK MGR HETATM 1 C1 MGR 5152 -0.025 0.643 -0.069 1.00 20.00 HETATM 2 C2 MGR 5152 -0.033 2.221 -0.012 1.00 20.00 HETATM 3 C3 MGR 5152 -0.932 3.036 -0.839 1.00 20.00 HETATM 4 C4 MGR 5152 -0.920 4.467 -0.771 1.00 20.00 HETATM 5 C5 MGR 5152 -0.021 5.191 0.111 1.00 20.00 HETATM 6 C6 MGR 5152 0.887 4.437 0.951 1.00 20.00 HETATM 7 C7 MGR 5152 0.886 3.005 0.897 1.00 20.00 HETATM 8 C8 MGR 5152 1.285 -0.127 -0.069 1.00 20.00 HETATM 9 C9 MGR 5152 2.580 0.570 -0.465 1.00 20.00 HETATM 10 C10 MGR 5152 3.838 -0.035 -0.449 1.00 20.00 HETATM 11 C11 MGR 5152 3.959 -1.448 -0.050 1.00 20.00 HETATM 12 C12 MGR 5152 2.689 -2.201 0.346 1.00 20.00 HETATM 13 C13 MGR 5152 1.416 -1.551 0.315 1.00 20.00 HETATM 14 C14 MGR 5152 -1.340 -0.073 -0.048 1.00 20.00 HETATM 15 C15 MGR 5152 -1.665 -1.181 -0.962 1.00 20.00 HETATM 16 C16 MGR 5152 -2.912 -1.828 -0.938 1.00 20.00 HETATM 17 C17 MGR 5152 -3.904 -1.439 -0.023 1.00 20.00 HETATM 18 C18 MGR 5152 -3.611 -0.364 0.885 1.00 20.00 HETATM 19 C19 MGR 5152 -2.384 0.294 0.881 1.00 20.00 HETATM 20 C22 MGR 5152 5.323 -3.504 0.464 1.00 20.00 HETATM 21 C23 MGR 5152 6.492 -1.335 -0.371 1.00 20.00 HETATM 22 C24 MGR 5152 -6.173 -1.781 -0.963 1.00 20.00 HETATM 23 C25 MGR 5152 -5.521 -2.925 1.146 1.00 20.00 HETATM 24 N2 MGR 5152 5.211 -2.043 0.000 1.00 20.00 HETATM 25 N3 MGR 5152 -5.127 -2.031 0.032 1.00 20.00 REMARK MGR ENDHET