REMARK  Name = BDB057187
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.404   1.048   0.723  0.00  0.00    -0.323 N 
ATOM      2  C   LIG    1       -2.735   0.685   0.664  0.00  0.00    +0.073 A 
ATOM      3  C   LIG    1       -2.721  -0.638   0.223  0.00  0.00    +0.102 A 
ATOM      4  C   LIG    1       -3.943  -1.323   0.047  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1       -5.143  -0.647   0.319  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1       -5.119   0.672   0.750  0.00  0.00    +0.126 A 
ATOM      7  F   LIG    1       -6.277   1.298   1.000  0.00  0.00    -0.205 F 
ATOM      8  N   LIG    1       -1.424  -1.057   0.017  0.00  0.00    -0.226 NA
ATOM      9  C   LIG    1       -3.926   1.373   0.932  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1       -0.649  -0.043   0.347  0.00  0.00    +0.149 A 
ENDROOT
BRANCH  10  11
ATOM     11  C   LIG    1        0.779  -0.107   0.233  0.00  0.00    +0.055 A 
ATOM     12  S   LIG    1        1.825   0.142   1.567  0.00  0.00    -0.089 S 
ATOM     13  C   LIG    1        3.207  -0.134   0.618  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1        4.598  -0.089   1.174  0.00  0.00    +0.123 C 
ATOM     15  N   LIG    1        5.597   0.033   0.090  0.00  0.00    -0.311 NA
ATOM     16  H   LIG    1        5.505   0.966  -0.310  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1        5.333  -0.958  -0.975  0.00  0.00    +0.086 C 
ATOM     18  C   LIG    1        3.977  -0.737  -1.685  0.00  0.00    +0.051 C 
ATOM     19  C   LIG    1        2.894  -0.449  -0.690  0.00  0.00    -0.034 A 
ATOM     20  C   LIG    1        1.486  -0.445  -0.907  0.00  0.00    +0.023 A 
ENDBRANCH  10  11
BRANCH   4  21
ATOM     21  C   LIG    1       -3.998  -2.729  -0.416  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1       -5.067  -3.307  -0.573  0.00  0.00    -0.270 OA
ATOM     23  N   LIG    1       -2.814  -3.360  -0.661  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1       -1.923  -2.889  -0.516  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -2.823  -4.324  -0.960  0.00  0.00    +0.145 HD
ENDBRANCH   4  21
BRANCH   1  27
ATOM     26  C   LIG    1       -0.648   3.216  -0.188  0.00  0.00    +0.027 C 
ATOM     27  C   LIG    1       -0.921   2.378   1.049  0.00  0.00    +0.120 C 
ENDBRANCH   1  27
TORSDOF 3