REMARK  Name = BDB062272
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.208  -0.148  -0.158  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -3.389   0.173   0.497  0.00  0.00    -0.012 A 
ATOM      3  C   LIG    1       -3.598   0.289   1.971  0.00  0.00    +0.056 C 
ATOM      4  C   LIG    1       -4.982  -0.198   2.388  0.00  0.00    +0.109 C 
ATOM      5  N   LIG    1       -6.042   0.726   2.032  0.00  0.00    -0.311 N 
ATOM      6  H   LIG    1       -6.698   0.987   2.759  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -6.513   1.049   0.786  0.00  0.00    +0.245 C 
ATOM      8  C   LIG    1       -5.782   0.702  -0.457  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -6.491   0.782  -1.671  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1       -5.862   0.517  -2.877  0.00  0.00    +0.126 A 
ATOM     11  F   LIG    1       -6.564   0.598  -4.014  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -4.515   0.174  -2.941  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1       -3.815   0.103  -1.732  0.00  0.00    +0.051 A 
ATOM     14  O   LIG    1       -7.586   1.648   0.712  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -4.411   0.353  -0.492  0.00  0.00    +0.016 A 
ATOM     16  N   LIG    1       -2.494  -0.193  -1.501  0.00  0.00    -0.354 N 
ATOM     17  H   LIG    1       -1.815  -0.391  -2.224  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   1  21
ATOM     18  C   LIG    1        1.748  -0.882   1.313  0.00  0.00    -0.033 A 
ATOM     19  C   LIG    1        1.102  -1.823   0.499  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1       -0.189  -1.585   0.018  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1       -0.862  -0.404   0.348  0.00  0.00    -0.001 A 
ATOM     22  C   LIG    1       -0.225   0.535   1.166  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        1.067   0.298   1.646  0.00  0.00    +0.005 A 
BRANCH  18  24
ATOM     24  C   LIG    1        3.147  -1.138   1.833  0.00  0.00    +0.119 C 
BRANCH  24  28
ATOM     25  C   LIG    1        5.776   0.506  -1.189  0.00  0.00    +0.053 C 
ATOM     26  C   LIG    1        5.617   1.210   0.161  0.00  0.00    +0.034 C 
ATOM     27  C   LIG    1        4.314   0.781   0.842  0.00  0.00    +0.086 C 
ATOM     28  N   LIG    1        4.264  -0.675   0.996  0.00  0.00    -0.298 NA
ATOM     29  C   LIG    1        4.355  -1.367  -0.292  0.00  0.00    +0.086 C 
ATOM     30  C   LIG    1        5.657  -1.008  -1.011  0.00  0.00    +0.034 C 
BRANCH  25  31
ATOM     31  N   LIG    1        7.057   0.845  -1.814  0.00  0.00    -0.327 NA
ATOM     32  H   LIG    1        7.151   1.858  -1.874  0.00  0.00    +0.118 HD
ATOM     33  H   LIG    1        7.821   0.529  -1.216  0.00  0.00    +0.118 HD
ENDBRANCH  25  31
ENDBRANCH  24  28
ENDBRANCH  18  24
ENDBRANCH   1  21
TORSDOF 4