REMARK  Name = BDB049247
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.765  -0.320  -0.151  0.00  0.00    +0.222 A 
ATOM      2  N   LIG    1        0.446  -1.578   0.191  0.00  0.00    -0.211 NA
ATOM      3  C   LIG    1        1.497  -2.412   0.298  0.00  0.00    +0.116 A 
ATOM      4  C   LIG    1        2.799  -2.012   0.076  0.00  0.00    +0.193 A 
ATOM      5  O   LIG    1        3.659  -3.054   0.258  0.00  0.00    -0.458 OA
ATOM      6  C   LIG    1        2.891  -4.128   0.595  0.00  0.00    +0.198 A 
ATOM      7  C   LIG    1        3.087  -0.704  -0.273  0.00  0.00    +0.167 A 
ATOM      8  C   LIG    1        1.557  -3.784   0.632  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1        2.020   0.131  -0.379  0.00  0.00    -0.196 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -0.213   0.662  -0.301  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1        0.239   1.526  -0.565  0.00  0.00    +0.155 HD
BRANCH  10  17
ATOM     12  C   LIG    1       -6.952   1.533   0.092  0.00  0.00    +0.068 C 
ATOM     13  C   LIG    1       -5.800   0.607   0.213  0.00  0.00    +0.067 A 
ATOM     14  C   LIG    1       -4.424   0.904   0.017  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1       -3.766  -0.295   0.249  0.00  0.00    +0.068 A 
ATOM     16  C   LIG    1       -2.374  -0.438   0.159  0.00  0.00    +0.051 A 
ATOM     17  C   LIG    1       -1.609   0.686  -0.184  0.00  0.00    +0.036 A 
ATOM     18  C   LIG    1       -2.272   1.905  -0.419  0.00  0.00    +0.024 A 
ATOM     19  N   LIG    1       -4.752  -1.193   0.555  0.00  0.00    -0.277 N 
ATOM     20  H   LIG    1       -4.642  -2.174   0.783  0.00  0.00    +0.189 HD
ATOM     21  C   LIG    1       -3.667   2.034  -0.325  0.00  0.00    +0.013 A 
ATOM     22  N   LIG    1       -5.994  -0.677   0.542  0.00  0.00    -0.178 NA
ENDBRANCH  10  17
ENDBRANCH   1  10
BRANCH   7  23
ATOM     23  N   LIG    1        4.399  -0.265  -0.512  0.00  0.00    -0.323 N 
ATOM     24  H   LIG    1        5.084  -0.935  -0.173  0.00  0.00    +0.148 HD
BRANCH  23  25
ATOM     25  C   LIG    1        4.702   1.159  -0.456  0.00  0.00    +0.072 C 
ATOM     26  C   LIG    1        5.139   1.809   0.825  0.00  0.00    +0.024 C 
ATOM     27  C   LIG    1        6.120   1.632  -0.297  0.00  0.00    +0.024 C 
ENDBRANCH  23  25
ENDBRANCH   7  23
TORSDOF 4