REMARK  Name = BDB045290
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.062   2.598   0.442  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1        2.523   1.171   0.334  0.00  0.00    -0.024 A 
ATOM      3  C   LIG    1        1.592   0.133   0.148  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        2.063  -1.181   0.055  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1        1.070  -2.248  -0.144  0.00  0.00    +0.259 A 
ATOM      6  N   LIG    1       -0.239  -1.843  -0.186  0.00  0.00    -0.306 N 
ATOM      7  H   LIG    1       -0.903  -2.578  -0.374  0.00  0.00    +0.170 HD
ATOM      8  C   LIG    1       -0.628  -0.527  -0.090  0.00  0.00    +0.141 A 
ATOM      9  O   LIG    1        1.387  -3.425  -0.273  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1        3.426  -1.482   0.140  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        4.341  -0.451   0.325  0.00  0.00    +0.001 A 
ATOM     12  N   LIG    1        0.220   0.440   0.059  0.00  0.00    -0.229 NA
ATOM     13  C   LIG    1        3.893   0.868   0.422  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   8  14
ATOM     14  C   LIG    1       -2.087  -0.249  -0.187  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -2.502   0.987  -0.702  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1       -3.862   1.282  -0.811  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -4.812   0.349  -0.398  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.406  -0.876   0.130  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -3.046  -1.176   0.241  0.00  0.00    +0.011 A 
ENDBRANCH   8  14
TORSDOF 1