REMARK  Name = BDB050160
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.488  -0.731  -0.946  0.00  0.00    +0.144 A 
ATOM      2  N   LIG    1       -1.661  -0.437  -0.445  0.00  0.00    -0.149 NA
ATOM      3  N   LIG    1       -2.694  -0.485  -1.343  0.00  0.00    -0.211 N 
ATOM      4  C   LIG    1       -2.615  -0.827  -2.683  0.00  0.00    +0.155 A 
ATOM      5  N   LIG    1       -3.791  -0.795  -3.269  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -4.664  -0.425  -2.282  0.00  0.00    +0.141 A 
ATOM      7  C   LIG    1       -1.344  -1.157  -3.193  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -4.025  -0.214  -1.071  0.00  0.00    +0.093 A 
ATOM      9  C   LIG    1       -0.285  -1.126  -2.378  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -4.573   0.180   0.228  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -5.785  -0.368   0.671  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -6.322   0.015   1.901  0.00  0.00    +0.042 A 
ATOM     13 CL   LIG    1       -7.808  -0.673   2.434  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -5.669   0.948   2.702  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -4.467   1.504   2.269  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -3.925   1.123   1.038  0.00  0.00    +0.010 A 
ENDBRANCH   8  10
BRANCH   1  17
ATOM     17  N   LIG    1        0.569  -0.704  -0.063  0.00  0.00    -0.298 N 
ATOM     18  H   LIG    1        0.242  -0.466   0.870  0.00  0.00    +0.154 HD
BRANCH  17  21
ATOM     19  C   LIG    1        4.178   0.119   0.314  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1        2.916  -0.471   0.478  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        1.817  -0.085  -0.307  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        1.992   0.936  -1.245  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        3.242   1.532  -1.415  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        4.331   1.122  -0.642  0.00  0.00    +0.023 A 
BRANCH  19  27
ATOM     25  C   LIG    1        7.362  -0.659   2.185  0.00  0.00    +0.109 C 
ATOM     26  C   LIG    1        6.535   0.085   1.166  0.00  0.00    +0.214 C 
ATOM     27  N   LIG    1        5.222  -0.350   1.139  0.00  0.00    -0.286 N 
ATOM     28  H   LIG    1        4.977  -1.088   1.788  0.00  0.00    +0.155 HD
ATOM     29  O   LIG    1        7.030   0.980   0.491  0.00  0.00    -0.276 OA
ENDBRANCH  19  27
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 4