REMARK  Name = BDB002249
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.925  -0.878  -1.734  0.00  0.00    +0.267 C 
ATOM      2  N   LIG    1        0.281  -0.867  -2.409  0.00  0.00    -0.280 N 
ATOM      3  H   LIG    1        0.185  -1.326  -3.306  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -1.753  -1.714  -2.101  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.448  -0.100  -2.203  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        2.059   0.131  -0.937  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        3.161   1.023  -0.876  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1        3.770   1.313   0.357  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        3.338   0.704   1.533  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        2.308  -0.223   1.487  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        3.664   1.598  -2.051  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        3.116   1.286  -3.292  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        1.691  -0.515   0.268  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        2.022   0.432  -3.367  0.00  0.00    +0.024 A 
ENDBRANCH   2   5
BRANCH   1  19
ATOM     15  C   LIG    1       -1.677   3.516   0.615  0.00  0.00    +0.067 C 
ATOM     16  C   LIG    1       -1.609   2.081   0.253  0.00  0.00    +0.061 A 
ATOM     17  N   LIG    1       -2.189   1.167   1.026  0.00  0.00    -0.171 NA
ATOM     18  N   LIG    1       -1.914  -0.042   0.447  0.00  0.00    -0.227 N 
ATOM     19  C   LIG    1       -1.231   0.132  -0.756  0.00  0.00    +0.130 A 
ATOM     20  C   LIG    1       -1.012   1.497  -0.870  0.00  0.00    +0.057 A 
BRANCH  18  21
ATOM     21  C   LIG    1       -2.290  -1.229   1.159  0.00  0.00    +0.066 A 
ATOM     22  C   LIG    1       -3.137  -1.103   2.277  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1       -3.523  -2.224   3.018  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.063  -3.486   2.659  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -2.214  -3.625   1.565  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -1.825  -2.504   0.820  0.00  0.00    +0.028 A 
ENDBRANCH  18  21
ENDBRANCH   1  19
TORSDOF 3