REMARK  Name = BDB045730
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.184  -0.072  -0.127  0.00  0.00    +0.025 A 
ATOM      2  C   LIG    1        2.326  -1.115   0.206  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1        0.931  -0.939   0.169  0.00  0.00    +0.035 A 
ATOM      4  C   LIG    1        0.081  -2.082   0.551  0.00  0.00    +0.234 C 
ATOM      5  C   LIG    1       -1.411  -1.979   0.313  0.00  0.00    +0.234 C 
ATOM      6  C   LIG    1       -1.981  -0.652   0.012  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1       -1.131   0.442  -0.234  0.00  0.00    -0.006 A 
ATOM      8  C   LIG    1       -1.758   1.680  -0.478  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -3.153   1.812  -0.498  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -3.965   0.709  -0.271  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -3.380  -0.525  -0.014  0.00  0.00    +0.012 A 
ATOM     12  O   LIG    1       -2.116  -2.977   0.378  0.00  0.00    -0.283 OA
ATOM     13  O   LIG    1        0.556  -3.093   1.051  0.00  0.00    -0.283 OA
ATOM     14  C   LIG    1        0.343   0.274  -0.228  0.00  0.00    -0.006 A 
ATOM     15  C   LIG    1        1.231   1.289  -0.629  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        2.622   1.111  -0.596  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  17
ATOM     17  N   LIG    1        4.561  -0.285  -0.212  0.00  0.00    -0.358 N 
ATOM     18  H   LIG    1        4.908  -1.024   0.394  0.00  0.00    +0.142 HD
ATOM     19  H   LIG    1        5.123   0.558  -0.150  0.00  0.00    +0.142 HD
ENDBRANCH   1  17
TORSDOF 1