REMARK  Name = BDB005591
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.376  -0.444  -0.293  0.00  0.00    -0.031 A 
ATOM      2  C   LIG    1       -0.310   0.705  -0.705  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -1.706   0.757  -0.626  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -2.451  -0.322  -0.128  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1       -3.926  -0.198  -0.057  0.00  0.00    +0.045 A 
ATOM      6  N   LIG    1       -4.668  -1.242   0.485  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1       -4.232  -1.666   1.300  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -6.124  -1.218   0.514  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1       -6.625   0.212   0.671  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -6.006   1.127  -0.392  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -4.519   0.926  -0.506  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -3.724   2.049  -1.072  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1       -4.255   3.066  -1.508  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -1.758  -1.476   0.263  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1       -2.366   1.905  -1.074  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1       -1.843   2.681  -1.456  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1       -0.362  -1.535   0.184  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  18
ATOM     18  C   LIG    1        1.887  -0.518  -0.385  0.00  0.00    +0.119 C 
BRANCH  18  20
ATOM     19  C   LIG    1        2.413   0.390   1.808  0.00  0.00    +0.105 C 
ATOM     20  N   LIG    1        2.531  -0.759   0.913  0.00  0.00    -0.297 NA
BRANCH  20  21
ATOM     21  C   LIG    1        3.918  -1.232   0.776  0.00  0.00    +0.119 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.903  -0.293   0.111  0.00  0.00    -0.033 A 
ATOM     23  C   LIG    1        5.121  -0.349  -1.274  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        6.027   0.519  -1.887  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        6.729   1.449  -1.124  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.527   1.511   0.254  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.622   0.645   0.868  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 4