REMARK  Name = BDB063827
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.624   0.331  -1.963  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1        0.405   0.377  -1.413  0.00  0.00    +0.130 C 
ATOM      3  C   LIG    1       -0.810   0.668  -2.221  0.00  0.00    +0.269 C 
ATOM      4  O   LIG    1       -0.901   0.906  -3.408  0.00  0.00    -0.268 OA
ATOM      5  N   LIG    1       -1.798   0.596  -1.295  0.00  0.00    -0.253 N 
ATOM      6  H   LIG    1       -2.764   0.757  -1.510  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -1.255   0.304  -0.092  0.00  0.00    +0.188 C 
ATOM      8  N   LIG    1        0.038   0.165  -0.101  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   1  14
ATOM      9  C   LIG    1        7.707  -1.228   0.448  0.00  0.00    +0.173 C 
ATOM     10  N   LIG    1        6.440  -0.604   0.746  0.00  0.00    -0.267 N 
ATOM     11  C   LIG    1        5.364  -0.493  -0.101  0.00  0.00    +0.069 A 
ATOM     12  C   LIG    1        4.394   0.183   0.632  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        3.147   0.461   0.041  0.00  0.00    +0.019 A 
ATOM     14  C   LIG    1        2.893   0.040  -1.275  0.00  0.00    -0.022 A 
ATOM     15  C   LIG    1        3.901  -0.625  -1.989  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        4.999   0.428   1.884  0.00  0.00    +0.143 A 
ATOM     17  C   LIG    1        5.150  -0.910  -1.420  0.00  0.00    +0.028 A 
ATOM     18  N   LIG    1        6.245  -0.045   1.958  0.00  0.00    -0.179 NA
ENDBRANCH   1  14
BRANCH   7  19
ATOM     19  N   LIG    1       -1.989   0.167   1.041  0.00  0.00    -0.314 N 
ATOM     20  H   LIG    1       -1.420  -0.163   1.817  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.411  -0.082   1.191  0.00  0.00    +0.073 C 
ATOM     22  C   LIG    1       -4.245   1.163   0.850  0.00  0.00    +0.022 C 
ATOM     23  C   LIG    1       -5.599   0.824   0.224  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -6.210  -0.419   0.857  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -5.328  -1.657   0.682  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -3.854  -1.333   0.429  0.00  0.00    +0.022 C 
ENDBRANCH  19  21
ENDBRANCH   7  19
TORSDOF 3