REMARK  Name = BDB006625
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.427  -0.807   0.998  0.00  0.00    +0.045 A 
ATOM      2  N   LIG    1        3.018  -1.845   0.294  0.00  0.00    -0.264 N 
ATOM      3  N   LIG    1        2.177  -2.493  -0.547  0.00  0.00    -0.166 NA
ATOM      4  C   LIG    1        1.037  -1.830  -0.379  0.00  0.00    +0.153 A 
ATOM      5  C   LIG    1       -0.304  -1.944  -0.911  0.00  0.00    +0.272 C 
ATOM      6  N   LIG    1       -1.048  -0.918  -0.248  0.00  0.00    -0.253 N 
ATOM      7  C   LIG    1       -0.183  -0.135   0.696  0.00  0.00    +0.146 C 
ATOM      8  O   LIG    1       -0.670  -2.768  -1.732  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1        1.129  -0.797   0.543  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -2.420  -0.675  -0.381  0.00  0.00    +0.054 A 
ATOM     11  C   LIG    1       -3.075   0.222   0.382  0.00  0.00    +0.112 A 
ATOM     12  N   LIG    1       -4.434   0.470   0.262  0.00  0.00    -0.316 N 
ATOM     13  C   LIG    1       -5.037   1.465   1.136  0.00  0.00    +0.152 C 
ATOM     14  C   LIG    1       -5.238  -0.195  -0.659  0.00  0.00    +0.254 A 
ATOM     15  O   LIG    1       -6.445  -0.008  -0.785  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1       -4.535  -1.188  -1.526  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1       -5.370  -1.906  -2.538  0.00  0.00    +0.049 C 
ATOM     18  C   LIG    1       -3.215  -1.388  -1.370  0.00  0.00    +0.033 A 
ENDBRANCH   6  10
BRANCH   7  19
ATOM     19  C   LIG    1        0.034   1.318   0.317  0.00  0.00    -0.022 A 
ATOM     20  C   LIG    1        0.172   1.737  -1.020  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1        0.369   3.085  -1.330  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        0.432   4.029  -0.309  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1        0.678   5.688  -0.691  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1        0.299   3.638   1.020  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        0.102   2.290   1.332  0.00  0.00    +0.007 A 
ENDBRANCH   7  19
BRANCH   2  26
ATOM     26  C   LIG    1        4.420  -2.293   0.469  0.00  0.00    +0.108 C 
ATOM     27  C   LIG    1        5.572  -1.618  -0.237  0.00  0.00    +0.029 C 
ATOM     28  C   LIG    1        5.181  -3.013  -0.621  0.00  0.00    +0.029 C 
ENDBRANCH   2  26
BRANCH   1  30
ATOM     29  C   LIG    1        3.822   1.232   1.384  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1        3.126   0.033   2.010  0.00  0.00    +0.052 C 
ENDBRANCH   1  30
TORSDOF 4