REMARK  Name = BDB012912
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.228  -0.281  -1.674  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        0.284  -1.050  -1.016  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -0.910  -1.498  -1.729  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.778  -2.158  -0.651  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -0.727  -2.746   0.289  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.390  -1.706   0.276  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        1.069   0.009  -2.861  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        4.108   0.837   0.313  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        4.499   1.090  -0.940  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1        3.454   0.708  -1.688  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1        3.498   0.827  -2.696  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        2.408   0.175  -0.978  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        2.807   0.274   0.341  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1        6.296   0.345   1.442  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1        4.995   1.150   1.484  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        5.290   2.647   1.591  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1       -2.625  -1.189   0.039  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -2.179  -0.554   0.687  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -3.821  -0.787  -0.524  0.00  0.00    +0.219 C 
ATOM     20  O   LIG    1       -4.270  -1.318  -1.536  0.00  0.00    -0.275 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -4.531   0.372   0.202  0.00  0.00    +0.039 C 
ATOM     22  C   LIG    1       -3.668   1.641   0.126  0.00  0.00    +0.020 C 
ATOM     23  C   LIG    1       -4.790  -0.003   1.668  0.00  0.00    +0.020 C 
ATOM     24  C   LIG    1       -5.880   0.652  -0.483  0.00  0.00    +0.020 C 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4