REMARK  Name = BDB016817
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.175  -0.057  -0.928  0.00  0.00    -0.252 N 
ATOM      2  C   LIG    1       -0.356  -0.382   0.294  0.00  0.00    +0.161 C 
ATOM      3  C   LIG    1        0.977  -0.512  -0.321  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        0.982  -0.248  -1.649  0.00  0.00    +0.150 A 
ATOM      5  N   LIG    1        2.227  -0.338  -2.166  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1        3.002  -0.673  -1.138  0.00  0.00    +0.140 A 
ATOM      7  N   LIG    1        2.257  -0.811   0.037  0.00  0.00    -0.323 N 
ATOM      8  C   LIG    1       -0.351   0.058  -2.099  0.00  0.00    +0.272 C 
ATOM      9  O   LIG    1       -0.670   0.330  -3.246  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  18
ATOM     10  C   LIG    1       -5.401  -0.520   1.656  0.00  0.00    +0.047 C 
ATOM     11  C   LIG    1       -4.690  -0.156   0.378  0.00  0.00    -0.004 A 
ATOM     12  C   LIG    1       -5.393   0.308  -0.776  0.00  0.00    +0.164 A 
ATOM     13  N   LIG    1       -4.662   0.607  -1.909  0.00  0.00    -0.285 N 
ATOM     14  C   LIG    1       -5.594   1.012  -2.840  0.00  0.00    +0.135 A 
ATOM     15  N   LIG    1       -6.797   0.962  -2.303  0.00  0.00    -0.134 NA
ATOM     16  C   LIG    1       -5.263   1.432  -4.220  0.00  0.00    +0.088 C 
ATOM     17  C   LIG    1       -3.278   0.492  -1.987  0.00  0.00    +0.118 A 
ATOM     18  C   LIG    1       -2.567   0.070  -0.921  0.00  0.00    +0.055 A 
ATOM     19  N   LIG    1       -6.670   0.519  -1.007  0.00  0.00    -0.129 NA
ATOM     20  C   LIG    1       -3.341  -0.268   0.286  0.00  0.00    +0.032 A 
ENDBRANCH   1  18
BRANCH   2  21
ATOM     21  C   LIG    1       -0.392   0.703   1.361  0.00  0.00    -0.021 A 
ATOM     22  C   LIG    1       -0.562   0.349   2.711  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -0.579   1.328   3.709  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -0.422   2.669   3.368  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -0.438   3.870   4.598  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -0.249   3.040   2.038  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -0.232   2.063   1.039  0.00  0.00    +0.007 A 
ENDBRANCH   2  21
BRANCH   6  28
ATOM     28  C   LIG    1        4.402  -0.846  -1.170  0.00  0.00    +0.019 C 
ATOM     29  C   LIG    1        5.477   0.184  -1.153  0.00  0.00    +0.198 C 
ATOM     30  O   LIG    1        6.712  -0.557  -1.121  0.00  0.00    -0.371 OA
ATOM     31  C   LIG    1        6.423  -1.899  -1.544  0.00  0.00    +0.188 C 
ATOM     32  C   LIG    1        4.952  -2.034  -1.439  0.00  0.00    +0.010 C 
ENDBRANCH   6  28
BRANCH   7  33
ATOM     33  C   LIG    1        2.676  -1.165   1.389  0.00  0.00    +0.083 C 
ATOM     34  C   LIG    1        3.512  -0.077   2.059  0.00  0.00    +0.030 C 
ATOM     35  C   LIG    1        3.328  -2.543   1.504  0.00  0.00    +0.030 C 
ENDBRANCH   7  33
TORSDOF 4