COMPND GVO (2S)-2-(4-CHLOROPHENYL)-2-(4-(1H-PYRAZOL-4-YL) PHENYL)ETHANAMINE
REMARK GVO Part of HIC-Up: http://xray.bmc.uu.se/hicup
REMARK GVO Extracted from PDB file pdb2uw6.ent
REMARK GVO Formula C17 H16 CL N3
REMARK GVO Nr of non-hydrogen atoms  21
REMARK GVO Eigen-values covariance X/Y/Z      300.2      33.8       9.1
REMARK GVO Residue type GVO
REMARK GVO Residue name   4068
REMARK GVO Original residue name (for O) $A1351
REMARK GVO  RESOLUTION. 2.23 ANGSTROMS.
REMARK GVO occurs in        0 other PDB entries
REMARK GVO
HETATM    1  N1  GVO  4068       0.604  -3.294   4.369  1.00 20.00           N+0
HETATM    2  C2  GVO  4068       0.562  -1.904   4.769  1.00 20.00           C+0
HETATM    3  C3  GVO  4068       1.754  -1.101   4.166  1.00 20.00           C+0
HETATM    4  C4  GVO  4068       1.827   0.306   4.782  1.00 20.00           C+0
HETATM    5  C5  GVO  4068       3.056   0.908   4.888  1.00 20.00           C+0
HETATM    6  C6  GVO  4068       3.122   2.184   5.446  1.00 20.00           C+0
HETATM    7  C7  GVO  4068       1.957   2.817   5.880  1.00 20.00           C+0
HETATM    8 CL8  GVO  4068       2.039   4.392   6.569  1.00 20.00          CL+0
HETATM    9  C9  GVO  4068       0.726   2.173   5.756  1.00 20.00           C+0
HETATM   10  C10 GVO  4068       0.660   0.896   5.198  1.00 20.00           C+0
HETATM   11  C11 GVO  4068       1.800  -1.079   2.676  1.00 20.00           C+0
HETATM   12  C12 GVO  4068       2.862  -1.681   2.001  1.00 20.00           C+0
HETATM   13  C13 GVO  4068       2.904  -1.661   0.607  1.00 20.00           C+0
HETATM   14  C14 GVO  4068       1.885  -1.037  -0.112  1.00 20.00           C+0
HETATM   15  C15 GVO  4068       0.823  -0.435   0.562  1.00 20.00           C+0
HETATM   16  C16 GVO  4068       0.780  -0.455   1.956  1.00 20.00           C+0
HETATM   17  C17 GVO  4068       1.929  -1.016  -1.548  1.00 20.00           C+0
HETATM   18  C18 GVO  4068       3.014  -1.012  -2.439  1.00 20.00           C+0
HETATM   19  N19 GVO  4068       2.626  -0.990  -3.717  1.00 20.00           N+0
HETATM   20  N20 GVO  4068       1.285  -0.981  -3.628  1.00 20.00           N+0
HETATM   21  C21 GVO  4068       0.817  -0.995  -2.347  1.00 20.00           C+0
REMARK GVO ENDHET