REMARK  Name = BDB054626
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.978  -0.240  -0.975  0.00  0.00    -0.325 N 
ATOM      2  C   LIG    1       -0.233  -0.559  -0.390  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1       -0.275  -1.948  -0.448  0.00  0.00    +0.097 A 
ATOM      4  N   LIG    1        0.828  -2.451  -1.099  0.00  0.00    -0.235 NA
ATOM      5  C   LIG    1        1.541  -1.403  -1.430  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.282   0.419   0.248  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -1.604   1.772  -0.095  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -2.557   2.211   0.831  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -3.098   3.505   0.819  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -2.679   4.370  -0.193  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -1.773   3.958  -1.163  0.00  0.00    +0.021 A 
ATOM     12 CL   LIG    1       -3.319   5.968  -0.254  0.00  0.00    -0.083 Cl
ATOM     13  N   LIG    1       -2.832   1.155   1.667  0.00  0.00    -0.360 N 
ATOM     14  H   LIG    1       -3.497   1.179   2.428  0.00  0.00    +0.165 HD
ATOM     15  C   LIG    1       -1.242   2.662  -1.131  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -2.096   0.063   1.301  0.00  0.00    +0.093 A 
ENDBRANCH   2   6
BRANCH   3  17
ATOM     17  C   LIG    1       -1.333  -2.835  -0.003  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -1.026  -3.890   0.864  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1       -2.027  -4.766   1.292  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -3.337  -4.600   0.843  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -3.647  -3.564  -0.038  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -2.647  -2.688  -0.466  0.00  0.00    +0.010 A 
ENDBRANCH   3  17
BRANCH   1  23
ATOM     23  C   LIG    1        1.669   1.042  -0.953  0.00  0.00    +0.158 C 
BRANCH  23  28
ATOM     24 CL   LIG    1        7.382   0.660   0.957  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1        5.754   0.767   0.412  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1        4.710   0.479   1.288  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        3.388   0.568   0.846  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1        3.103   0.942  -0.478  0.00  0.00    -0.028 A 
ATOM     29  C   LIG    1        4.165   1.232  -1.347  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1        5.487   1.143  -0.903  0.00  0.00    +0.020 A 
ENDBRANCH  23  28
ENDBRANCH   1  23
TORSDOF 4