REMARK  Name = BDB028733
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.839  -0.454   0.237  0.00  0.00    -0.318 N 
ATOM      2  C   LIG    1       -0.172   0.637   0.121  0.00  0.00    +0.121 C 
ATOM      3  C   LIG    1       -1.413   0.349   1.011  0.00  0.00    +0.135 C 
ATOM      4  N   LIG    1       -2.042  -0.944   0.688  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -3.418  -1.071   0.770  0.00  0.00    +0.226 C 
ATOM      6  O   LIG    1       -4.140  -0.145   1.150  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -1.127  -2.023   0.286  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1        0.332  -1.765   0.698  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1        3.116  -0.574  -0.622  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1        1.719  -0.577  -0.868  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1        1.265  -0.769  -2.181  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1        2.172  -0.912  -3.233  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1        3.541  -0.859  -2.981  0.00  0.00    +0.043 A 
ATOM     14 CL   LIG    1        4.653  -1.013  -4.286  0.00  0.00    -0.083 Cl
ATOM     15  C   LIG    1        4.016  -0.679  -1.685  0.00  0.00    +0.044 A 
BRANCH   9  16
ATOM     16  N   LIG    1        3.594  -0.275   0.670  0.00  0.00    -0.357 N 
ATOM     17  H   LIG    1        2.841  -0.384   1.348  0.00  0.00    +0.142 HD
ATOM     18  H   LIG    1        4.459  -0.737   0.918  0.00  0.00    +0.142 HD
ENDBRANCH   9  16
ENDBRANCH   1  10
BRANCH   2  19
ATOM     19  C   LIG    1        0.455   1.974   0.490  0.00  0.00    -0.026 A 
ATOM     20  C   LIG    1        1.063   2.177   1.740  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1        1.631   3.411   2.067  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        1.597   4.453   1.144  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1        2.295   5.973   1.545  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1        1.002   4.271  -0.102  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        0.435   3.037  -0.429  0.00  0.00    +0.007 A 
ENDBRANCH   2  19
BRANCH   5  26
ATOM     26  C   LIG    1       -4.018  -2.398   0.384  0.00  0.00    +0.216 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.515  -2.474   0.259  0.00  0.00    +0.314 C 
ATOM     28  O   LIG    1       -6.065  -3.480  -0.178  0.00  0.00    -0.250 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -6.233  -1.410   0.665  0.00  0.00    -0.480 OA
ATOM     30  H   LIG    1       -5.686  -0.653   0.992  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 6