REMARK  Name = BDB050157
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.838  -1.006  -0.533  0.00  0.00    +0.093 A 
ATOM      2  N   LIG    1        3.574  -1.529  -0.758  0.00  0.00    -0.211 N 
ATOM      3  C   LIG    1        3.747  -2.818  -1.231  0.00  0.00    +0.155 A 
ATOM      4  C   LIG    1        2.585  -3.559  -1.517  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        1.388  -2.993  -1.329  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        1.314  -1.579  -0.826  0.00  0.00    +0.142 A 
ATOM      7  N   LIG    1        5.017  -3.146  -1.320  0.00  0.00    -0.234 NA
ATOM      8  N   LIG    1        2.388  -0.888  -0.539  0.00  0.00    -0.149 NA
ATOM      9  C   LIG    1        5.694  -2.037  -0.886  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  13
ATOM     10 CL   LIG    1        7.748   1.983   2.534  0.00  0.00    -0.084 Cl
ATOM     11  C   LIG    1        6.475   1.784   1.393  0.00  0.00    +0.042 A 
ATOM     12  C   LIG    1        6.174   0.510   0.908  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.135   0.331  -0.017  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        4.420   1.458  -0.447  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        4.725   2.732   0.040  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        5.755   2.896   0.964  0.00  0.00    +0.020 A 
ENDBRANCH   1  13
BRANCH   6  17
ATOM     17  N   LIG    1        0.061  -0.990  -0.635  0.00  0.00    -0.314 N 
ATOM     18  C   LIG    1       -0.903  -0.996  -1.748  0.00  0.00    +0.108 C 
ATOM     19  C   LIG    1       -2.327  -0.827  -1.225  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1       -2.447   0.460  -0.393  0.00  0.00    +0.060 C 
ATOM     21  C   LIG    1       -1.412   0.432   0.741  0.00  0.00    +0.038 C 
ATOM     22  C   LIG    1       -0.005   0.238   0.179  0.00  0.00    +0.108 C 
BRANCH  20  23
ATOM     23  N   LIG    1       -3.844   0.673   0.032  0.00  0.00    -0.299 NA
ATOM     24  C   LIG    1       -4.146   2.094   0.271  0.00  0.00    +0.084 C 
ATOM     25  C   LIG    1       -5.396   2.332   1.130  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1       -6.436   1.246   0.907  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -5.851  -0.141   1.185  0.00  0.00    +0.015 C 
ATOM     28  C   LIG    1       -4.319  -0.178   1.122  0.00  0.00    +0.084 C 
ENDBRANCH  20  23
ENDBRANCH   6  17
TORSDOF 3