REMARK  Name = BDB029391
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.448  -0.739  -0.530  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.280  -0.398  -0.438  0.00  0.00    +0.222 C 
ATOM      3  N   LIG    1       -3.247  -0.807  -1.273  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1       -3.392  -1.433  -2.051  0.00  0.00    +0.155 HD
ATOM      5  C   LIG    1       -2.041  -0.239  -0.896  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -2.234   0.576   0.217  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1       -1.178   1.269   0.779  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        0.086   1.116   0.200  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1        0.270   0.267  -0.913  0.00  0.00    +0.132 A 
ATOM     10  C   LIG    1       -0.809  -0.409  -1.488  0.00  0.00    +0.070 A 
ATOM     11  C   LIG    1       -3.682   0.549   0.609  0.00  0.00    +0.133 C 
ENDROOT
BRANCH   9  12
ATOM     12  O   LIG    1        1.494   0.107  -1.527  0.00  0.00    -0.438 OA
BRANCH  12  13
ATOM     13  C   LIG    1        2.570  -0.090  -0.685  0.00  0.00    +0.225 A 
ATOM     14  N   LIG    1        3.501   0.876  -0.694  0.00  0.00    -0.182 NA
ATOM     15  C   LIG    1        4.551   0.640   0.097  0.00  0.00    +0.226 A 
ATOM     16 CL   LIG    1        5.756   1.847   0.141  0.00  0.00    -0.041 Cl
ATOM     17  N   LIG    1        4.758  -0.437   0.869  0.00  0.00    -0.226 NA
ATOM     18  C   LIG    1        3.798  -1.376   0.818  0.00  0.00    +0.119 A 
ATOM     19  C   LIG    1        2.669  -1.258   0.044  0.00  0.00    +0.087 A 
ENDBRANCH  12  13
ENDBRANCH   9  12
TORSDOF 2