REMARK  Name = BDB006179
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.754  -0.334  -0.069  0.00  0.00    +0.146 C 
ATOM      2  N   LIG    1       -1.896  -1.330   1.042  0.00  0.00    -0.254 N 
ATOM      3  C   LIG    1       -0.629  -1.826   1.470  0.00  0.00    +0.272 C 
ATOM      4  O   LIG    1       -0.405  -2.723   2.270  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        0.342  -1.074   0.710  0.00  0.00    +0.153 A 
ATOM      6  N   LIG    1        1.665  -1.034   0.640  0.00  0.00    -0.166 NA
ATOM      7  N   LIG    1        1.897  -0.103  -0.331  0.00  0.00    -0.264 N 
ATOM      8  C   LIG    1        0.729   0.402  -0.898  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -0.277  -0.225  -0.194  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -3.646   1.124  -1.898  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -3.128   1.754  -0.631  0.00  0.00    -0.044 A 
ATOM     12  C   LIG    1       -2.251   1.069   0.247  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1       -1.837   1.728   1.428  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -2.265   3.022   1.728  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -3.118   3.682   0.855  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -3.649   5.278   1.218  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -3.550   3.058  -0.313  0.00  0.00    +0.023 A 
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1       -3.020  -2.208   1.004  0.00  0.00    +0.042 A 
ATOM     19  C   LIG    1       -4.307  -1.782   1.383  0.00  0.00    -0.029 A 
ATOM     20  C   LIG    1       -4.591  -0.440   1.995  0.00  0.00    +0.045 C 
ATOM     21  C   LIG    1       -5.394  -2.663   1.226  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -5.207  -3.958   0.744  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -3.927  -4.387   0.418  0.00  0.00    +0.043 A 
ATOM     24 CL   LIG    1       -3.689  -5.986  -0.173  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1       -2.840  -3.526   0.547  0.00  0.00    +0.043 A 
ENDBRANCH   2  18
BRANCH   7  26
ATOM     26  C   LIG    1        3.292   0.221  -0.633  0.00  0.00    +0.110 C 
ATOM     27  C   LIG    1        4.082  -1.016  -1.092  0.00  0.00    +0.042 C 
ATOM     28  C   LIG    1        5.021  -1.505   0.007  0.00  0.00    +0.086 C 
ATOM     29  N   LIG    1        6.018  -0.478   0.347  0.00  0.00    -0.305 NA
ATOM     30  C   LIG    1        6.732  -0.852   1.567  0.00  0.00    +0.104 C 
ATOM     31  C   LIG    1        5.476   0.884   0.428  0.00  0.00    +0.086 C 
ATOM     32  C   LIG    1        3.957   0.941   0.550  0.00  0.00    +0.042 C 
ENDBRANCH   7  26
BRANCH   8  33
ATOM     33  C   LIG    1        0.606   1.406  -2.010  0.00  0.00    +0.032 C 
ATOM     34  C   LIG    1        1.166   0.897  -3.337  0.00  0.00    +0.014 C 
ATOM     35  C   LIG    1        1.146   2.783  -1.631  0.00  0.00    +0.014 C 
ENDBRANCH   8  33
TORSDOF 4