REMARK  Name = BDB012911
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.840  -0.627  -0.777  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        0.697  -0.618   0.007  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -0.617  -0.614  -0.625  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.609  -0.510   0.540  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -0.819   0.295   1.569  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.595  -0.251   1.414  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        1.763  -0.577  -2.002  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        5.240  -0.503   0.536  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        4.662  -1.298   1.445  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1        3.403  -1.434   1.001  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1        2.787  -2.067   1.498  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        3.112  -0.685  -0.104  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        4.315  -0.108  -0.460  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1        7.502  -0.657  -0.536  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1        6.694  -0.145   0.658  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        6.890   1.362   0.831  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1       -2.868   0.114   0.188  0.00  0.00    -0.311 N 
ATOM     18  H   LIG    1       -2.961   1.119   0.262  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -3.831  -0.584  -0.519  0.00  0.00    +0.216 C 
ATOM     20  O   LIG    1       -3.680  -1.775  -0.797  0.00  0.00    -0.276 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -5.059   0.261  -0.936  0.00  0.00    +0.078 C 
ATOM     22  C   LIG    1       -6.455  -0.421  -0.828  0.00  0.00    +0.031 C 
ATOM     23  C   LIG    1       -7.023   0.967  -0.473  0.00  0.00    +0.052 C 
ATOM     24  C   LIG    1       -5.619   1.333   0.046  0.00  0.00    +0.031 C 
BRANCH  23  25
ATOM     25  N   LIG    1       -7.929   0.842   0.658  0.00  0.00    -0.327 NA
ATOM     26  H   LIG    1       -8.234   1.735   1.043  0.00  0.00    +0.118 HD
ATOM     27  H   LIG    1       -8.783   0.326   0.443  0.00  0.00    +0.118 HD
ENDBRANCH  23  25
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 5