REMARK  Name = BDB045610
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.932   2.557   0.236  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -2.253   1.130   0.206  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -1.305   0.125  -0.059  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        0.115   0.446  -0.122  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1        1.034  -0.496  -0.389  0.00  0.00    +0.051 A 
ATOM      6  N   LIG    1        0.637  -1.789  -0.601  0.00  0.00    -0.322 N 
ATOM      7  H   LIG    1        1.321  -2.502  -0.821  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1       -0.666  -2.206  -0.563  0.00  0.00    +0.254 A 
ATOM      9  O   LIG    1       -0.973  -3.376  -0.772  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1       -1.683  -1.158  -0.257  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1       -3.113  -1.604  -0.179  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -3.995  -0.575   0.524  0.00  0.00    +0.024 C 
ATOM     13  C   LIG    1       -3.686   0.832   0.029  0.00  0.00    +0.105 C 
ENDROOT
BRANCH   5  14
ATOM     14  C   LIG    1        2.471  -0.190  -0.448  0.00  0.00    -0.001 A 
ATOM     15  C   LIG    1        3.368  -0.853   0.404  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        4.736  -0.572   0.350  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        5.214   0.370  -0.559  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1        6.898   0.715  -0.626  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1        4.337   1.033  -1.414  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        2.968   0.754  -1.359  0.00  0.00    +0.011 A 
ENDBRANCH   5  14
TORSDOF 1