REMARK  Name = BDB009538
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.208   0.265  -2.326  0.00  0.00    +0.144 A 
ATOM      2  N   LIG    1        0.287   0.447  -1.304  0.00  0.00    -0.315 N 
ATOM      3  C   LIG    1       -0.777  -0.406  -1.527  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1       -0.450  -1.040  -2.715  0.00  0.00    +0.184 A 
ATOM      5  N   LIG    1       -1.232  -1.936  -3.334  0.00  0.00    -0.200 NA
ATOM      6  C   LIG    1       -2.380  -2.135  -2.685  0.00  0.00    +0.242 A 
ATOM      7  N   LIG    1       -2.795  -1.569  -1.518  0.00  0.00    -0.205 NA
ATOM      8  C   LIG    1       -1.982  -0.695  -0.889  0.00  0.00    +0.149 A 
ATOM      9  N   LIG    1        0.759  -0.629  -3.187  0.00  0.00    -0.208 NA
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.687   1.764  -0.608  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        4.632   1.762  -1.674  0.00  0.00    -0.050 A 
ATOM     12  C   LIG    1        3.445   1.035  -1.495  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        2.463   1.001  -2.495  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1        2.705   1.666  -3.704  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        3.889   2.378  -3.897  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        4.848   2.427  -2.886  0.00  0.00    +0.003 A 
ENDBRANCH   1  13
BRANCH   6  17
ATOM     17  C   LIG    1       -3.369  -3.100  -3.283  0.00  0.00    +0.375 C 
ATOM     18  O   LIG    1       -3.227  -3.748  -4.304  0.00  0.00    -0.242 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -4.493  -3.166  -2.510  0.00  0.00    -0.475 OA
ATOM     20  H   LIG    1       -4.393  -2.555  -1.744  0.00  0.00    +0.296 HD
ENDBRANCH  17  19
ENDBRANCH   6  17
BRANCH   8  21
ATOM     21  N   LIG    1       -2.365  -0.119   0.313  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1       -1.581   0.068   0.927  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.497  -0.685   1.048  0.00  0.00    +0.072 C 
ATOM     24  C   LIG    1       -4.071   0.423   1.932  0.00  0.00    +0.028 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -3.027  -1.913   1.792  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1       -3.483  -2.290   3.183  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -2.068  -1.831   2.959  0.00  0.00    +0.005 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH   8  21
BRANCH   2  28
ATOM     28  C   LIG    1        0.350   1.484  -0.282  0.00  0.00    +0.159 C 
BRANCH  28  29
ATOM     29  C   LIG    1        0.717   0.986   1.103  0.00  0.00    -0.028 A 
ATOM     30  C   LIG    1        0.498   1.851   2.190  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1        0.813   1.459   3.494  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        1.358   0.201   3.725  0.00  0.00    +0.041 A 
ATOM     33 CL   LIG    1        1.738  -0.286   5.330  0.00  0.00    -0.084 Cl
ATOM     34  C   LIG    1        1.594  -0.667   2.663  0.00  0.00    +0.020 A 
ATOM     35  C   LIG    1        1.277  -0.277   1.358  0.00  0.00    +0.007 A 
ENDBRANCH  28  29
ENDBRANCH   2  28
TORSDOF 8