REMARK  Name = BDB032713
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.447  -0.060   0.172  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.336  -0.142  -0.654  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -2.091   0.498  -1.658  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.472  -1.192  -0.103  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -2.129  -1.766   0.983  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -1.532  -2.790   1.695  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -0.263  -3.223   1.291  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1        0.395  -2.646   0.179  0.00  0.00    -0.010 A 
ATOM      9  C   LIG    1       -0.222  -1.602  -0.527  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -3.461  -1.123   1.169  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -7.386   2.732  -2.483  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -6.516   2.157  -1.835  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -6.297   0.811  -1.985  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -6.868   0.344  -2.676  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -5.482  -0.003  -1.231  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -5.524  -1.224  -1.373  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -4.652   0.698  -0.144  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -4.382   2.152  -0.528  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -5.704   2.862  -0.774  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  C   LIG    1        1.769  -3.122  -0.220  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.753  -2.202   0.266  0.00  0.00    -0.445 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.314  -2.506   1.457  0.00  0.00    +0.405 C 
ATOM     23  N   LIG    1        4.235  -1.606   1.925  0.00  0.00    -0.251 N 
ATOM     24  H   LIG    1        4.604  -1.908   2.818  0.00  0.00    +0.158 HD
ATOM     25  O   LIG    1        3.052  -3.508   2.116  0.00  0.00    -0.226 OA
BRANCH  23  26
ATOM     26  C   LIG    1        4.726  -0.392   1.410  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        4.337   0.186   0.197  0.00  0.00    +0.072 A 
ATOM     28  C   LIG    1        4.888   1.402  -0.240  0.00  0.00    +0.164 A 
ATOM     29  C   LIG    1        5.826   2.046   0.566  0.00  0.00    +0.165 A 
ATOM     30  F   LIG    1        6.357   3.226   0.216  0.00  0.00    -0.202 F 
ATOM     31  C   LIG    1        6.224   1.489   1.775  0.00  0.00    +0.044 A 
ATOM     32  C   LIG    1        5.679   0.274   2.194  0.00  0.00    +0.026 A 
BRANCH  28  33
ATOM     33  O   LIG    1        4.409   1.833  -1.448  0.00  0.00    -0.431 OA
BRANCH  33  34
ATOM     34  C   LIG    1        5.069   2.935  -2.051  0.00  0.00    +0.541 C 
ATOM     35  F   LIG    1        4.463   3.152  -3.247  0.00  0.00    -0.166 F 
ATOM     36  F   LIG    1        6.350   2.590  -2.329  0.00  0.00    -0.166 F 
ENDBRANCH  33  34
ENDBRANCH  28  33
ENDBRANCH  23  26
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 7