REMARK  Name = BDB057189
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.959  -0.392   0.474  0.00  0.00    +0.146 A 
ATOM      2  N   LIG    1        1.519  -1.343   1.288  0.00  0.00    -0.337 N 
ATOM      3  H   LIG    1        1.001  -2.046   1.794  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        2.880  -1.169   1.288  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1        3.092  -0.067   0.458  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1        4.414   0.374   0.249  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1        5.471  -0.305   0.880  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1        5.207  -1.398   1.698  0.00  0.00    +0.126 A 
ATOM      9  F   LIG    1        6.231  -2.027   2.290  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        3.911  -1.861   1.927  0.00  0.00    +0.066 A 
ATOM     11  N   LIG    1        1.890   0.379  -0.046  0.00  0.00    -0.226 NA
ENDROOT
BRANCH   1  17
ATOM     12  C   LIG    1       -4.882  -0.557   1.694  0.00  0.00    +0.029 C 
ATOM     13  C   LIG    1       -4.342  -0.907   0.305  0.00  0.00    +0.088 C 
ATOM     14  C   LIG    1       -2.899  -0.499   0.143  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -2.463   0.576  -0.607  0.00  0.00    -0.034 A 
ATOM     16  C   LIG    1       -1.046   0.714  -0.555  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1       -0.446  -0.259   0.223  0.00  0.00    +0.055 A 
ATOM     18  C   LIG    1       -3.430   1.422  -1.375  0.00  0.00    +0.051 C 
ATOM     19  C   LIG    1       -4.883   1.149  -0.930  0.00  0.00    +0.086 C 
ATOM     20  S   LIG    1       -1.610  -1.337   0.877  0.00  0.00    -0.088 S 
ATOM     21  N   LIG    1       -5.182  -0.289  -0.752  0.00  0.00    -0.309 NA
ATOM     22  H   LIG    1       -4.956  -0.762  -1.628  0.00  0.00    +0.123 HD
ENDBRANCH   1  17
BRANCH   6  23
ATOM     23  C   LIG    1        4.688   1.548  -0.601  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1        4.020   2.570  -0.560  0.00  0.00    -0.270 OA
ATOM     25  N   LIG    1        5.762   1.442  -1.446  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1        6.161   0.546  -1.688  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1        5.863   2.195  -2.115  0.00  0.00    +0.145 HD
ENDBRANCH   6  23
TORSDOF 2