COMPND R88 (4-BROMOPHENYL)(4-(((2E)-4-(CYCLOPROPYL(METHYL) AMINO)BUT-2-ENYL)OXY)PHENYL)METHANONE
REMARK R88 Part of HIC-Up: http://xray.bmc.uu.se/hicup
REMARK R88 Extracted from PDB file pdb1h36.ent
REMARK R88 Formula C21 H22 BR N O2
REMARK R88 Nr of non-hydrogen atoms  25
REMARK R88 Eigen-values covariance X/Y/Z      711.6      41.1      11.8
REMARK R88 Residue type R88
REMARK R88 Residue name   6525
REMARK R88 Original residue name (for O) $A800
REMARK R88  RESOLUTION. 2.80 ANGSTROMS.
REMARK R88 occurs in        0 other PDB entries
REMARK R88
HETATM    1  C1A R88  6525       1.320  -0.304   3.449  1.00 20.00           C+0
HETATM    2  C1  R88  6525       2.338  -0.414   2.384  1.00 20.00           C+0
HETATM    3  O2  R88  6525       3.460  -0.798   2.653  1.00 20.00           O+0
HETATM    4  C1B R88  6525       1.994  -0.058   0.995  1.00 20.00           C+0
HETATM    5  C6B R88  6525       2.954   0.523   0.161  1.00 20.00           C+0
HETATM    6  C5B R88  6525       2.629   0.853  -1.134  1.00 20.00           C+0
HETATM    7  C4B R88  6525       1.347   0.610  -1.615  1.00 20.00           C+0
HETATM    8  C2C R88  6525      -0.337   0.570  -3.086  1.00 20.00           C+0
HETATM    9  C3C R88  6525      -0.753   0.910  -4.494  1.00 20.00           C+0
HETATM   10  C4C R88  6525      -1.173  -0.034  -5.299  1.00 20.00           C+0
HETATM   11  C5C R88  6525      -1.590   0.304  -6.707  1.00 20.00           C+0
HETATM   12  N1D R88  6525      -0.746  -0.431  -7.658  1.00 20.00           N+0
HETATM   13  C1F R88  6525       0.615   0.097  -7.511  1.00 20.00           C+0
HETATM   14  C1E R88  6525      -1.202  -0.058  -9.003  1.00 20.00           C+0
HETATM   15  C2E R88  6525      -0.481  -0.692 -10.195  1.00 20.00           C+0
HETATM   16  C3B R88  6525       0.387   0.037  -0.788  1.00 20.00           C+0
HETATM   17  C2B R88  6525       0.706  -0.301   0.507  1.00 20.00           C+0
HETATM   18  C6A R88  6525       1.591  -0.788   4.731  1.00 20.00           C+0
HETATM   19  C5A R88  6525       0.636  -0.682   5.720  1.00 20.00           C+0
HETATM   20  C4A R88  6525      -0.588  -0.099   5.445  1.00 20.00           C+0
HETATM   21  O1C R88  6525       1.030   0.937  -2.893  1.00 20.00           O+0
HETATM   22  C3E R88  6525      -1.902  -1.134  -9.836  1.00 20.00           C+0
HETATM   23 BR23 R88  6525      -1.892   0.040   6.807  1.00 20.00          BR+0
HETATM   24  C3A R88  6525      -0.863   0.382   4.176  1.00 20.00           C+0
HETATM   25  C2A R88  6525       0.084   0.288   3.179  1.00 20.00           C+0
REMARK R88 ENDHET