REMARK  Name = BDB030747
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.837   3.112   0.627  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.513   2.400  -0.687  0.00  0.00    +0.077 C 
ATOM      3  N   LIG    1       -2.293   1.604  -0.522  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.593   1.803  -1.233  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.286   0.254  -0.140  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1       -0.950  -0.367   0.071  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1       -0.842  -1.742   0.325  0.00  0.00    +0.054 A 
ATOM      8  N   LIG    1       -2.019  -2.530   0.455  0.00  0.00    -0.310 N 
ATOM      9  C   LIG    1       -3.293  -1.972   0.386  0.00  0.00    +0.267 A 
ATOM     10  O   LIG    1       -4.309  -2.644   0.576  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1       -1.914  -3.954   0.748  0.00  0.00    +0.152 C 
ATOM     12  C   LIG    1        0.435  -2.309   0.477  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        1.591  -1.525   0.408  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        1.506  -0.151   0.210  0.00  0.00    +0.032 A 
ATOM     15  C   LIG    1        0.232   0.409   0.043  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1       -3.385  -0.511   0.036  0.00  0.00    +0.094 A 
ATOM     17  S   LIG    1       -5.012   0.109  -0.175  0.00  0.00    -0.116 S 
ATOM     18  C   LIG    1       -4.665   1.548  -1.226  0.00  0.00    +0.096 C 
ENDROOT
BRANCH  14  19
ATOM     19  N   LIG    1        2.634   0.688   0.117  0.00  0.00    -0.313 N 
ATOM     20  H   LIG    1        2.445   1.631   0.456  0.00  0.00    +0.152 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.982   0.412  -0.205  0.00  0.00    +0.053 A 
ATOM     22  C   LIG    1        5.039   1.145   0.369  0.00  0.00    +0.110 A 
ATOM     23  C   LIG    1        6.340   0.790   0.034  0.00  0.00    +0.148 A 
ATOM     24 CL   LIG    1        7.728   1.598   0.658  0.00  0.00    -0.061 Cl
ATOM     25  N   LIG    1        6.664  -0.215  -0.810  0.00  0.00    -0.242 NA
ATOM     26  C   LIG    1        5.642  -0.903  -1.350  0.00  0.00    +0.114 A 
ATOM     27  C   LIG    1        4.311  -0.633  -1.079  0.00  0.00    +0.044 A 
BRANCH  22  28
ATOM     28  C   LIG    1        4.785   2.223   1.269  0.00  0.00    +0.104 C 
ATOM     29  N   LIG    1        4.519   3.102   1.979  0.00  0.00    -0.191 NA
ENDBRANCH  22  28
ENDBRANCH  19  21
ENDBRANCH  14  19
TORSDOF 3