REMARK  Name = BDB012514
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.693  -3.944  -2.123  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -2.773  -2.773  -1.217  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1       -1.704  -1.997  -0.740  0.00  0.00    +0.063 A 
ATOM      4  C   LIG    1       -0.273  -1.877  -0.801  0.00  0.00    +0.254 C 
ATOM      5  N   LIG    1        0.061  -0.765   0.036  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -1.168  -0.125   0.621  0.00  0.00    +0.159 C 
ATOM      7  O   LIG    1        0.455  -2.618  -1.441  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.204  -1.020   0.065  0.00  0.00    +0.056 A 
ATOM      9  N   LIG    1       -3.551  -1.129   0.129  0.00  0.00    -0.351 N 
ATOM     10  C   LIG    1       -4.459  -0.283   0.864  0.00  0.00    +0.148 C 
ATOM     11  C   LIG    1       -3.916  -2.206  -0.656  0.00  0.00    +0.089 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        1.364  -0.356   0.331  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1        2.454  -0.846  -0.297  0.00  0.00    +0.118 A 
ATOM     14  N   LIG    1        3.723  -0.386   0.035  0.00  0.00    -0.285 N 
ATOM     15  C   LIG    1        3.964   0.574   0.998  0.00  0.00    +0.164 A 
ATOM     16  N   LIG    1        5.256   0.802   1.081  0.00  0.00    -0.129 NA
ATOM     17  N   LIG    1        5.886  -0.010   0.167  0.00  0.00    -0.134 NA
ATOM     18  C   LIG    1        2.845   1.118   1.703  0.00  0.00    -0.004 A 
ATOM     19  C   LIG    1        3.006   2.158   2.781  0.00  0.00    +0.047 C 
ATOM     20  C   LIG    1        4.967  -0.720  -0.456  0.00  0.00    +0.135 A 
ATOM     21  C   LIG    1        5.201  -1.724  -1.518  0.00  0.00    +0.088 C 
ATOM     22  C   LIG    1        1.613   0.657   1.372  0.00  0.00    +0.032 A 
ENDBRANCH   5  12
BRANCH   6  23
ATOM     23  C   LIG    1       -1.376   1.323   0.207  0.00  0.00    -0.021 A 
ATOM     24  C   LIG    1       -1.182   1.749  -1.119  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -1.395   3.082  -1.479  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -1.810   4.001  -0.519  0.00  0.00    +0.041 A 
ATOM     27 CL   LIG    1       -2.075   5.642  -0.961  0.00  0.00    -0.084 Cl
ATOM     28  C   LIG    1       -2.017   3.598   0.798  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -1.805   2.265   1.159  0.00  0.00    +0.007 A 
ENDBRANCH   6  23
TORSDOF 2