REMARK  Name = BDB051507
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.353   0.845  -0.061  0.00  0.00    +0.171 C 
ATOM      2  C   LIG    1        0.338   1.970  -1.127  0.00  0.00    +0.254 C 
ATOM      3  O   LIG    1        0.118   1.859  -2.326  0.00  0.00    -0.272 OA
ATOM      4  N   LIG    1        0.599   3.135  -0.467  0.00  0.00    -0.245 N 
ATOM      5  C   LIG    1        0.619   4.429  -1.107  0.00  0.00    +0.141 C 
ATOM      6  C   LIG    1        0.655   2.879   0.851  0.00  0.00    +0.183 C 
ATOM      7  N   LIG    1        0.516   1.645   1.212  0.00  0.00    -0.234 NA
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1       -1.036   0.081   0.023  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1       -1.086  -0.868   1.263  0.00  0.00    +0.013 C 
ATOM     10  C   LIG    1       -2.441  -1.591   1.371  0.00  0.00    -0.010 C 
ATOM     11  C   LIG    1       -2.669  -2.429   0.105  0.00  0.00    +0.007 C 
ATOM     12  C   LIG    1       -2.675  -1.517  -1.130  0.00  0.00    -0.010 C 
ATOM     13  C   LIG    1       -3.798  -0.479  -0.991  0.00  0.00    +0.007 C 
ATOM     14  C   LIG    1       -3.576   0.363   0.273  0.00  0.00    -0.010 C 
ATOM     15  C   LIG    1       -3.563  -0.553   1.504  0.00  0.00    +0.007 C 
ATOM     16  C   LIG    1       -1.319  -0.795  -1.235  0.00  0.00    +0.013 C 
ATOM     17  C   LIG    1       -2.224   1.088   0.167  0.00  0.00    +0.013 C 
ENDBRANCH   1   8
BRANCH   1  21
ATOM     18  C   LIG    1        3.823  -1.788  -0.536  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1        3.116  -1.343  -1.652  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1        2.006  -0.502  -1.512  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        1.575  -0.079  -0.245  0.00  0.00    -0.010 A 
ATOM     22  C   LIG    1        2.299  -0.539   0.871  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        3.409  -1.382   0.730  0.00  0.00    +0.046 A 
BRANCH  18  25
ATOM     24  C   LIG    1        5.620  -3.101   0.295  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        4.884  -2.604  -0.815  0.00  0.00    -0.495 OA
ENDBRANCH  18  25
ENDBRANCH   1  21
BRANCH   6  26
ATOM     26  N   LIG    1        0.845   3.860   1.764  0.00  0.00    -0.331 N 
ATOM     27  H   LIG    1        1.076   3.483   2.678  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1        1.464   4.611   1.487  0.00  0.00    +0.145 HD
ENDBRANCH   6  26
TORSDOF 4