REMARK  Name = BDB057366
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.570  -0.097   0.029  0.00  0.00    +0.190 A 
ATOM      2  N   LIG    1        2.935  -1.043  -0.672  0.00  0.00    -0.204 NA
ATOM      3  C   LIG    1        1.579  -1.033  -0.698  0.00  0.00    +0.146 A 
ATOM      4  N   LIG    1        1.053  -2.099  -1.411  0.00  0.00    -0.321 N 
ATOM      5  H   LIG    1        1.802  -2.703  -1.729  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -0.153  -2.667  -1.290  0.00  0.00    +0.180 A 
ATOM      7  C   LIG    1       -1.316  -2.042  -0.803  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1       -1.585  -0.732  -0.438  0.00  0.00    -0.241 NA
ATOM      9  C   LIG    1       -0.650   0.109  -0.126  0.00  0.00    +0.085 A 
ATOM     10  C   LIG    1       -2.300  -3.001  -0.837  0.00  0.00    +0.060 A 
ATOM     11  C   LIG    1       -3.733  -2.961  -0.479  0.00  0.00    +0.067 C 
ATOM     12  N   LIG    1       -1.688  -4.117  -1.332  0.00  0.00    -0.278 N 
ATOM     13  H   LIG    1       -2.097  -5.028  -1.506  0.00  0.00    +0.189 HD
ATOM     14  N   LIG    1       -0.389  -3.939  -1.625  0.00  0.00    -0.154 NA
ATOM     15  C   LIG    1        0.836  -0.054  -0.063  0.00  0.00    +0.061 A 
ATOM     16  C   LIG    1        1.602   0.866   0.641  0.00  0.00    +0.127 A 
ATOM     17  N   LIG    1        2.950   0.871   0.706  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1       -1.190   1.465   0.187  0.00  0.00    +0.019 A 
ATOM     19  C   LIG    1       -1.736   1.768   1.439  0.00  0.00    +0.050 A 
ATOM     20 CL   LIG    1       -1.757   0.626   2.733  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1       -2.245   3.047   1.675  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -2.217   4.010   0.663  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -1.682   3.700  -0.589  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -1.171   2.426  -0.833  0.00  0.00    +0.011 A 
ENDBRANCH   9  18
BRANCH   1  26
ATOM     25  C   LIG    1        5.718   1.066   1.296  0.00  0.00    +0.093 C 
ATOM     26  S   LIG    1        5.343  -0.164   0.024  0.00  0.00    -0.089 S 
ENDBRANCH   1  26
TORSDOF 2