REMARK  Name = BDB057172
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.902   0.172  -1.332  0.00  0.00    +0.065 A 
ATOM      2  C   LIG    1       -2.661  -0.195  -0.779  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -2.597  -1.353  -0.005  0.00  0.00    +0.069 A 
ATOM      4  N   LIG    1       -1.282  -1.439   0.377  0.00  0.00    -0.337 N 
ATOM      5  H   LIG    1       -0.874  -2.172   0.935  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -0.607  -0.357  -0.130  0.00  0.00    +0.146 A 
ATOM      7  C   LIG    1       -3.702  -2.170   0.254  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -4.922  -1.774  -0.304  0.00  0.00    +0.044 A 
ATOM      9 CL   LIG    1       -6.322  -2.738  -0.018  0.00  0.00    -0.083 Cl
ATOM     10  N   LIG    1       -1.426   0.409  -0.823  0.00  0.00    -0.226 NA
ATOM     11  C   LIG    1       -5.033  -0.626  -1.085  0.00  0.00    +0.035 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1        0.793  -0.113   0.082  0.00  0.00    +0.055 A 
ATOM     13  S   LIG    1        1.599   1.171  -0.731  0.00  0.00    -0.089 S 
ATOM     14  C   LIG    1        3.085   0.792  -0.005  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1        4.334   1.579  -0.262  0.00  0.00    +0.123 C 
ATOM     16  N   LIG    1        5.532   0.855   0.212  0.00  0.00    -0.311 NA
ATOM     17  H   LIG    1        6.316   1.505   0.223  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1        5.328   0.301   1.562  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1        4.204  -0.760   1.598  0.00  0.00    +0.051 C 
ATOM     20  C   LIG    1        2.992  -0.277   0.862  0.00  0.00    -0.034 A 
ATOM     21  C   LIG    1        1.667  -0.804   0.906  0.00  0.00    +0.023 A 
ENDBRANCH   6  12
BRANCH   1  25
ATOM     22  N   LIG    1       -5.048   2.220  -1.873  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1       -5.502   2.194  -0.971  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1       -5.042   3.103  -2.368  0.00  0.00    +0.145 HD
ATOM     25  C   LIG    1       -4.020   1.369  -2.182  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1       -3.272   1.589  -3.122  0.00  0.00    -0.270 OA
ENDBRANCH   1  25
TORSDOF 2