REMARK  Name = BDB056205
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.296   4.347   1.819  0.00  0.00    -0.245 OA
ATOM      2  C   LIG    1       -0.246   3.490   1.128  0.00  0.00    +0.350 A 
ATOM      3  N   LIG    1       -1.398   3.817   0.473  0.00  0.00    -0.273 N 
ATOM      4  H   LIG    1       -1.724   4.758   0.630  0.00  0.00    +0.174 HD
ATOM      5  C   LIG    1       -2.320   2.914   0.053  0.00  0.00    +0.263 A 
ATOM      6  O   LIG    1       -3.466   3.228  -0.243  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -1.822   1.534   0.022  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1       -0.440   1.245   0.491  0.00  0.00    +0.156 A 
ATOM      9  N   LIG    1        0.097  -0.062   0.358  0.00  0.00    -0.292 N 
ATOM     10  C   LIG    1       -0.793  -1.146   0.003  0.00  0.00    +0.074 A 
ATOM     11  C   LIG    1       -2.103  -0.837  -0.445  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.985  -1.845  -0.866  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -2.604  -3.180  -0.819  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -1.353  -3.515  -0.317  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -0.460  -2.519   0.108  0.00  0.00    +0.065 A 
ATOM     16 CL   LIG    1        0.981  -3.112   0.867  0.00  0.00    -0.081 Cl
ATOM     17  C   LIG    1       -2.586   0.543  -0.449  0.00  0.00    +0.027 A 
ATOM     18  N   LIG    1        0.255   2.227   1.004  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   9  19
ATOM     19  C   LIG    1        1.520  -0.145   0.178  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1        2.063  -0.552  -1.054  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        3.446  -0.627  -1.233  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        4.304  -0.292  -0.188  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        3.782   0.119   1.037  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        2.400   0.194   1.219  0.00  0.00    +0.026 A 
ENDBRANCH   9  19
TORSDOF 1