REMARK  Name = BDB028406
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.151  -0.688  -1.144  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1       -2.023  -0.326  -0.114  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -2.603   0.951  -0.094  0.00  0.00    +0.014 A 
ATOM      4  C   LIG    1       -2.350   1.859  -1.134  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1       -3.059   3.159  -1.098  0.00  0.00    +0.274 A 
ATOM      6  N   LIG    1       -3.959   3.338  -0.076  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -4.441   4.232  -0.044  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -4.169   2.502   0.967  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -2.894   4.045  -1.928  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -1.472   1.490  -2.166  0.00  0.00    +0.055 A 
ATOM     11 CL   LIG    1       -1.048   2.503  -3.502  0.00  0.00    -0.083 Cl
ATOM     12  C   LIG    1       -3.509   1.381   1.005  0.00  0.00    +0.083 A 
ATOM     13  C   LIG    1       -0.875   0.224  -2.163  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   1  19
ATOM     14  C   LIG    1        0.830  -2.231  -0.996  0.00  0.00    +0.077 A 
ATOM     15  N   LIG    1        0.956  -3.604  -1.020  0.00  0.00    -0.266 N 
ATOM     16  C   LIG    1        2.166  -4.379  -0.866  0.00  0.00    +0.173 C 
ATOM     17  N   LIG    1       -0.213  -4.251  -1.196  0.00  0.00    -0.179 NA
ATOM     18  C   LIG    1       -1.116  -3.273  -1.251  0.00  0.00    +0.143 A 
ATOM     19  C   LIG    1       -0.530  -1.995  -1.142  0.00  0.00    +0.028 A 
BRANCH  14  22
ATOM     20  C   LIG    1        3.218   0.330   0.500  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        2.137  -0.574   0.384  0.00  0.00    +0.064 A 
ATOM     22  C   LIG    1        1.951  -1.303  -0.811  0.00  0.00    +0.018 A 
ATOM     23  C   LIG    1        2.844  -1.121  -1.878  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1        3.908  -0.230  -1.766  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        4.092   0.491  -0.589  0.00  0.00    +0.005 A 
BRANCH  20  27
ATOM     26  C   LIG    1        2.646   2.455   1.719  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1        3.452   1.164   1.742  0.00  0.00    +0.033 C 
ENDBRANCH  20  27
BRANCH  21  28
ATOM     28  C   LIG    1        1.223  -0.752   1.481  0.00  0.00    +0.100 C 
ATOM     29  N   LIG    1        0.476  -0.885   2.361  0.00  0.00    -0.191 NA
ENDBRANCH  21  28
ENDBRANCH  14  22
ENDBRANCH   1  19
BRANCH  12  30
ATOM     30  C   LIG    1       -3.728   0.460   2.214  0.00  0.00    +0.136 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -4.112   1.253   3.386  0.00  0.00    -0.325 NA
ATOM     32  H   LIG    1       -4.624   0.670   4.044  0.00  0.00    +0.119 HD
ATOM     33  H   LIG    1       -4.757   1.984   3.072  0.00  0.00    +0.119 HD
ENDBRANCH  30  31
ENDBRANCH  12  30
TORSDOF 6