REMARK  Name = BDB005560
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.189   0.115  -0.658  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        0.864   0.572  -0.648  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1       -0.195  -0.254  -0.241  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        0.117  -1.549   0.195  0.00  0.00    +0.051 A 
ATOM      5  N   LIG    1       -0.898  -2.389   0.661  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -0.685  -3.320   0.992  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -2.209  -2.018   0.744  0.00  0.00    +0.254 A 
ATOM      8  C   LIG    1       -2.555  -0.653   0.264  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1       -4.006  -0.257   0.334  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -4.217   1.249   0.143  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1       -3.348   1.778  -0.991  0.00  0.00    +0.102 C 
ATOM     12  N   LIG    1       -1.955   1.429  -0.737  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -1.323   1.757  -1.462  0.00  0.00    +0.146 HD
ATOM     14  O   LIG    1       -3.060  -2.788   1.181  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1        1.432  -2.016   0.192  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1       -1.614   0.178  -0.229  0.00  0.00    +0.045 A 
ATOM     17  C   LIG    1        2.467  -1.184  -0.239  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  18
ATOM     18  O   LIG    1        3.099   1.041  -1.086  0.00  0.00    -0.492 OA
BRANCH  18  20
ATOM     19  C   LIG    1        5.225   0.855   0.067  0.00  0.00    +0.048 C 
ATOM     20  C   LIG    1        4.465   0.656  -1.232  0.00  0.00    +0.225 C 
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 2