REMARK  Name = BDB051295
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.954   1.431  -0.846  0.00  0.00    +0.150 A 
ATOM      2  N   LIG    1        0.979   0.146  -0.433  0.00  0.00    -0.160 NA
ATOM      3  N   LIG    1        2.261  -0.236  -0.589  0.00  0.00    -0.215 N 
ATOM      4  C   LIG    1        3.060   0.759  -1.091  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1        4.402   0.562  -1.317  0.00  0.00    -0.307 N 
ATOM      6  H   LIG    1        4.989   1.297  -1.692  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1        4.994  -0.656  -1.039  0.00  0.00    +0.259 A 
ATOM      8  C   LIG    1        4.119  -1.738  -0.494  0.00  0.00    +0.065 A 
ATOM      9  C   LIG    1        4.660  -2.992  -0.197  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        3.836  -4.002   0.310  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        2.474  -3.764   0.521  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        1.923  -2.516   0.229  0.00  0.00    +0.028 A 
ATOM     13  O   LIG    1        6.190  -0.843  -1.232  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1        2.752  -1.512  -0.276  0.00  0.00    +0.080 A 
ATOM     15  C   LIG    1        2.250   1.845  -1.283  0.00  0.00    +0.081 A 
ENDROOT
BRANCH   1  21
ATOM     16  C   LIG    1       -4.102  -0.383   1.940  0.00  0.00    +0.104 C 
ATOM     17  N   LIG    1       -3.502  -0.376   0.609  0.00  0.00    -0.304 NA
ATOM     18  C   LIG    1       -2.032  -0.320   0.651  0.00  0.00    +0.103 C 
ATOM     19  C   LIG    1       -1.402   1.042   0.995  0.00  0.00    +0.123 C 
ATOM     20  N   LIG    1       -1.399   1.951  -0.152  0.00  0.00    -0.295 N 
ATOM     21  C   LIG    1       -0.264   2.272  -0.915  0.00  0.00    +0.267 C 
ATOM     22  O   LIG    1       -0.268   3.256  -1.660  0.00  0.00    -0.268 OA
ATOM     23  C   LIG    1       -2.622   2.680  -0.458  0.00  0.00    +0.109 C 
ATOM     24  C   LIG    1       -3.933   2.080   0.045  0.00  0.00    +0.034 C 
ATOM     25  C   LIG    1       -4.116   0.598  -0.299  0.00  0.00    +0.085 C 
ENDBRANCH   1  21
TORSDOF 1