REMARK  Name = BDB045758
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.865  -0.452  -0.273  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        2.169   0.756  -0.340  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        0.784   0.772  -0.138  0.00  0.00    +0.051 A 
ATOM      4  N   LIG    1        0.119   2.001  -0.213  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1        0.635   2.850  -0.408  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -1.231   2.165  -0.038  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1       -2.036   0.953   0.251  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1       -1.407  -0.309   0.335  0.00  0.00    -0.003 A 
ATOM      9  C   LIG    1       -2.229  -1.419   0.611  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -3.609  -1.273   0.793  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1       -4.189  -0.016   0.703  0.00  0.00    +0.124 A 
ATOM     12  F   LIG    1       -5.510   0.115   0.878  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -3.418   1.101   0.433  0.00  0.00    +0.052 A 
ATOM     14  O   LIG    1       -1.748   3.274  -0.117  0.00  0.00    -0.267 OA
ATOM     15  C   LIG    1        0.056  -0.404   0.133  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1        0.781  -1.607   0.196  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1        2.167  -1.632  -0.005  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1  19
ATOM     18  O   LIG    1        5.002  -1.544  -0.433  0.00  0.00    -0.245 OA
ATOM     19  C   LIG    1        4.331  -0.530  -0.477  0.00  0.00    +0.337 C 
BRANCH  19  20
ATOM     20  O   LIG    1        4.886   0.668  -0.727  0.00  0.00    -0.477 OA
ATOM     21  H   LIG    1        5.840   0.468  -0.839  0.00  0.00    +0.295 HD
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 2