REMARK  Name = BDB045454
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.439   0.524   0.648  0.00  0.00    +0.242 C 
ATOM      2  N   LIG    1       -0.296   0.588  -0.117  0.00  0.00    -0.282 N 
ATOM      3  H   LIG    1       -0.398   0.916  -1.069  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -1.563   0.142   1.803  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.004   0.188   0.257  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1        2.019   0.346  -0.694  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        3.342  -0.021  -0.402  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        3.647  -0.574   0.845  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        2.639  -0.734   1.795  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        1.326  -0.350   1.504  0.00  0.00    +0.023 A 
BRANCH   7  11
ATOM     11  C   LIG    1        4.370   0.180  -1.458  0.00  0.00    +0.242 C 
ATOM     12  O   LIG    1        4.060   0.347  -2.631  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        5.681   0.216  -1.072  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        5.961   0.359  -0.113  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        6.345   0.474  -1.792  0.00  0.00    +0.145 HD
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   1  18
ATOM     16  C   LIG    1       -4.994   0.929  -0.847  0.00  0.00    +0.051 C 
ATOM     17  C   LIG    1       -3.770   0.374  -0.192  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -2.615   1.052  -0.090  0.00  0.00    +0.078 C 
BRANCH  17  19
ATOM     19  C   LIG    1       -3.853  -1.014   0.297  0.00  0.00    +0.333 C 
ATOM     20  O   LIG    1       -3.072  -1.913   0.044  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -4.953  -1.206   1.040  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1       -4.867  -2.135   1.338  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   1  18
TORSDOF 5