REMARK  Name = BDB006640
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.155  -0.651   0.719  0.00  0.00    +0.069 A 
ATOM      2  C   LIG    1       -1.806  -0.517   0.365  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -0.517   0.081   0.761  0.00  0.00    +0.146 C 
ATOM      4  N   LIG    1        0.388  -0.421  -0.336  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1       -0.334  -1.225  -1.274  0.00  0.00    +0.270 C 
ATOM      6  O   LIG    1        0.056  -1.790  -2.280  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1       -1.658  -1.244  -0.776  0.00  0.00    +0.130 A 
ATOM      8  N   LIG    1       -2.852  -1.777  -1.076  0.00  0.00    -0.256 N 
ATOM      9  N   LIG    1       -3.802  -1.428  -0.175  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1        1.760  -0.154  -0.356  0.00  0.00    +0.058 A 
ATOM     11  C   LIG    1        2.380   0.540   0.624  0.00  0.00    +0.118 A 
ATOM     12  N   LIG    1        3.749   0.788   0.557  0.00  0.00    -0.282 N 
ATOM     13  C   LIG    1        4.564   0.353  -0.472  0.00  0.00    +0.203 A 
ATOM     14  N   LIG    1        5.801   0.738  -0.238  0.00  0.00    -0.126 NA
ATOM     15  N   LIG    1        5.814   1.437   0.946  0.00  0.00    -0.134 NA
ATOM     16  C   LIG    1        3.945  -0.381  -1.523  0.00  0.00    +0.166 A 
ATOM     17  C   LIG    1        4.585   1.470   1.417  0.00  0.00    +0.135 A 
ATOM     18  C   LIG    1        4.142   2.128   2.665  0.00  0.00    +0.088 C 
ATOM     19  C   LIG    1        2.613  -0.617  -1.463  0.00  0.00    +0.074 A 
BRANCH  16  20
ATOM     20  O   LIG    1        4.818  -0.770  -2.511  0.00  0.00    -0.491 OA
ATOM     21  C   LIG    1        4.300  -1.517  -3.603  0.00  0.00    +0.277 C 
ENDBRANCH  16  20
ENDBRANCH   4  10
BRANCH   3  22
ATOM     22  C   LIG    1       -0.735   1.581   0.787  0.00  0.00    -0.022 A 
ATOM     23  C   LIG    1       -0.876   2.233   2.026  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -1.075   3.614   2.090  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -1.135   4.360   0.916  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -1.378   6.061   0.996  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -1.001   3.737  -0.321  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -0.803   2.355  -0.387  0.00  0.00    +0.007 A 
ENDBRANCH   3  22
BRANCH   8  29
ATOM     29  C   LIG    1       -3.134  -2.630  -2.244  0.00  0.00    +0.108 C 
ATOM     30  C   LIG    1       -4.020  -3.851  -2.155  0.00  0.00    +0.029 C 
ATOM     31  C   LIG    1       -2.548  -4.015  -2.385  0.00  0.00    +0.029 C 
ENDBRANCH   8  29
BRANCH   1  33
ATOM     32  C   LIG    1       -3.521  -0.748   3.193  0.00  0.00    +0.010 C 
ATOM     33  C   LIG    1       -3.888  -0.073   1.881  0.00  0.00    +0.054 C 
ENDBRANCH   1  33
TORSDOF 5