REMARK  Name = BDB001136
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.568  -0.251   0.620  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -1.448   0.474   0.199  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -1.664   1.793  -0.265  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1       -0.649   2.567  -0.687  0.00  0.00    -0.251 NA
ATOM      5  C   LIG    1        0.590   2.019  -0.646  0.00  0.00    +0.139 A 
ATOM      6  C   LIG    1        0.838   0.724  -0.219  0.00  0.00    +0.090 A 
ATOM      7  C   LIG    1       -2.953   2.315  -0.299  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -4.057   1.572   0.116  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -0.196  -0.048   0.197  0.00  0.00    -0.243 NA
ATOM     10  C   LIG    1       -3.866   0.280   0.580  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        2.177   0.103  -0.167  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        2.442  -0.943   0.740  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1        3.701  -1.550   0.814  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        4.722  -1.122  -0.025  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        6.272  -1.863   0.058  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        4.493  -0.097  -0.938  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        3.231   0.508  -1.009  0.00  0.00    +0.011 A 
ENDBRANCH   6  11
BRANCH   1  21
ATOM     18  N   LIG    1       -3.067  -2.601   0.482  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1       -2.856  -3.550   0.764  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1       -3.428  -2.457  -0.451  0.00  0.00    +0.145 HD
ATOM     21  C   LIG    1       -2.398  -1.615   1.155  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1       -1.736  -1.849   2.155  0.00  0.00    -0.270 OA
ENDBRANCH   1  21
TORSDOF 2