REMARK  Name = BDB051603
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.019   0.586   0.489  0.00  0.00    -0.239 N 
ATOM      2  N   LIG    1        1.996  -0.290   0.111  0.00  0.00    -0.166 NA
ATOM      3  C   LIG    1        3.166   0.355   0.278  0.00  0.00    +0.105 A 
ATOM      4  C   LIG    1        2.894   1.678   0.778  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1        3.814   2.672   1.087  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1        5.127   2.232   0.848  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1        5.469   0.942   0.357  0.00  0.00    +0.053 A 
ATOM      8  F   LIG    1        6.128   3.087   1.102  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1        4.502  -0.048   0.052  0.00  0.00    +0.067 A 
ATOM     10  C   LIG    1        1.540   1.795   0.900  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -3.056  -0.595   0.297  0.00  0.00    -0.033 A 
ATOM     12  C   LIG    1       -2.709   0.687   0.746  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -1.370   1.088   0.814  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -0.353   0.205   0.431  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1       -0.696  -1.079  -0.022  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -2.036  -1.473  -0.088  0.00  0.00    +0.007 A 
BRANCH  11  17
ATOM     17  C   LIG    1       -4.506  -1.013   0.228  0.00  0.00    +0.116 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -6.608  -0.670  -0.890  0.00  0.00    +0.101 C 
ATOM     19  N   LIG    1       -5.222  -0.238  -0.785  0.00  0.00    -0.315 NA
ATOM     20  H   LIG    1       -4.757  -0.365  -1.683  0.00  0.00    +0.122 HD
ENDBRANCH  17  19
ENDBRANCH  11  17
ENDBRANCH   1  14
BRANCH   9  21
ATOM     21  C   LIG    1        4.899  -1.371  -0.455  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1        6.078  -1.653  -0.627  0.00  0.00    -0.270 OA
ATOM     23  N   LIG    1        3.906  -2.265  -0.724  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1        2.928  -2.026  -0.579  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1        4.151  -3.180  -1.073  0.00  0.00    +0.145 HD
ENDBRANCH   9  21
TORSDOF 4