REMARK  Name = BDB014114
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.667   0.027   0.006  0.00  0.00    -0.263 N 
ATOM      2  C   LIG    1        1.358  -0.097  -0.303  0.00  0.00    +0.077 A 
ATOM      3  C   LIG    1        0.054   0.067   0.352  0.00  0.00    +0.161 C 
ATOM      4  N   LIG    1       -0.850  -0.325  -0.795  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1       -0.097  -0.633  -1.976  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1       -0.471  -0.981  -3.082  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1        1.273  -0.476  -1.604  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1        2.583  -0.560  -2.047  0.00  0.00    +0.079 A 
ATOM      9  N   LIG    1        3.453  -0.243  -1.071  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -2.238  -0.428  -0.661  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1       -2.867  -0.295   0.526  0.00  0.00    +0.118 A 
ATOM     12  N   LIG    1       -4.253  -0.403   0.604  0.00  0.00    -0.285 N 
ATOM     13  C   LIG    1       -5.066  -0.654  -0.483  0.00  0.00    +0.164 A 
ATOM     14  N   LIG    1       -6.320  -0.710  -0.090  0.00  0.00    -0.129 NA
ATOM     15  N   LIG    1       -6.348  -0.490   1.266  0.00  0.00    -0.134 NA
ATOM     16  C   LIG    1       -4.451  -0.796  -1.764  0.00  0.00    -0.004 A 
ATOM     17  C   LIG    1       -5.251  -1.054  -3.016  0.00  0.00    +0.047 C 
ATOM     18  C   LIG    1       -5.111  -0.301   1.678  0.00  0.00    +0.135 A 
ATOM     19  C   LIG    1       -4.683  -0.020   3.066  0.00  0.00    +0.088 C 
ATOM     20  C   LIG    1       -3.100  -0.682  -1.827  0.00  0.00    +0.032 A 
ENDBRANCH   4  10
BRANCH   3  21
ATOM     21  C   LIG    1       -0.168   1.482   0.860  0.00  0.00    -0.021 A 
ATOM     22  C   LIG    1       -0.155   1.735   2.244  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -0.347   3.029   2.735  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -0.549   4.084   1.848  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -0.786   5.676   2.455  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -0.558   3.857   0.475  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -0.365   2.563  -0.017  0.00  0.00    +0.007 A 
ENDBRANCH   3  21
BRANCH   8  28
ATOM     28  C   LIG    1        3.015  -0.949  -3.481  0.00  0.00    +0.040 C 
ATOM     29  C   LIG    1        2.721  -2.339  -3.987  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1        4.133  -1.942  -3.672  0.00  0.00    +0.010 C 
ENDBRANCH   8  28
BRANCH   1  31
ATOM     31  C   LIG    1        3.265   0.405   1.266  0.00  0.00    +0.172 C 
BRANCH  31  32
ATOM     32  C   LIG    1        4.418  -0.500   1.678  0.00  0.00    +0.182 C 
BRANCH  32  34
ATOM     33  C   LIG    1        5.884  -0.974   3.464  0.00  0.00    +0.194 C 
ATOM     34  O   LIG    1        4.768  -0.202   3.034  0.00  0.00    -0.381 OA
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH   1  31
TORSDOF 6