REMARK  Name = BDB052310
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.652   0.597  -0.278  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -1.355   0.043  -0.211  0.00  0.00    +0.105 A 
ATOM      3  C   LIG    1       -1.192  -1.389  -0.240  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1        0.147  -1.649  -0.162  0.00  0.00    +0.123 A 
ATOM      5  N   LIG    1        0.759  -0.416  -0.089  0.00  0.00    -0.239 N 
ATOM      6  C   LIG    1       -2.185  -2.357  -0.330  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -3.466  -1.773  -0.397  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -0.140   0.601  -0.090  0.00  0.00    -0.166 NA
ATOM      9  C   LIG    1       -3.695  -0.363  -0.373  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        2.156  -0.140  -0.006  0.00  0.00    +0.065 A 
ATOM     11  C   LIG    1        3.105  -1.172   0.016  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        4.469  -0.867   0.099  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1        4.886   0.461   0.158  0.00  0.00    +0.041 A 
ATOM     14 CL   LIG    1        6.565   0.825   0.260  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1        3.953   1.494   0.135  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1        2.590   1.196   0.053  0.00  0.00    +0.029 A 
ENDBRANCH   5  10
BRANCH   1  20
ATOM     17  N   LIG    1       -4.038   2.461   0.374  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1       -4.503   1.875   1.053  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -4.129   3.463   0.484  0.00  0.00    +0.145 HD
ATOM     20  C   LIG    1       -2.904   2.046  -0.276  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1       -2.168   2.855  -0.820  0.00  0.00    -0.270 OA
ENDBRANCH   1  20
TORSDOF 2