REMARK  Name = BDB003122
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.174   0.323  -0.301  0.00  0.00    +0.299 C 
ATOM      2  N   LIG    1       -1.339  -0.388  -0.115  0.00  0.00    -0.305 N 
ATOM      3  H   LIG    1       -1.308  -1.097   0.615  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.028   1.298  -1.025  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.599   0.052  -0.656  0.00  0.00    +0.073 C 
ATOM      6  C   LIG    1       -3.258   1.143   0.186  0.00  0.00    +0.022 C 
ATOM      7  C   LIG    1       -4.751   1.044  -0.127  0.00  0.00    +0.002 C 
ATOM      8  C   LIG    1       -4.952  -0.284  -0.858  0.00  0.00    +0.002 C 
ATOM      9  C   LIG    1       -3.651  -1.050  -0.669  0.00  0.00    +0.022 C 
ENDBRANCH   2   5
BRANCH   1  12
ATOM     10  N   LIG    1        2.187   0.476   0.311  0.00  0.00    -0.305 N 
ATOM     11  H   LIG    1        2.149   1.208  -0.394  0.00  0.00    +0.149 HD
ATOM     12  C   LIG    1        1.017  -0.217   0.522  0.00  0.00    +0.299 C 
ATOM     13  O   LIG    1        0.861  -1.175   1.267  0.00  0.00    -0.265 OA
BRANCH  10  14
ATOM     14  C   LIG    1        3.461   0.088   0.891  0.00  0.00    +0.070 C 
ATOM     15  C   LIG    1        4.186   1.334   1.394  0.00  0.00    +0.028 C 
BRANCH  14  17
ATOM     16  C   LIG    1        3.749  -2.006  -0.546  0.00  0.00    +0.005 C 
ATOM     17  C   LIG    1        4.332  -0.663  -0.129  0.00  0.00    +0.018 C 
ENDBRANCH  14  17
ENDBRANCH  10  14
ENDBRANCH   1  12
TORSDOF 4