REMARK  Name = BDB037069
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.939  -0.256  -0.404  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        2.308   0.828   0.146  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1        2.792   1.802   0.690  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.872   0.604  -0.010  0.00  0.00    +0.053 A 
ATOM      5  C   LIG    1        0.708  -0.640  -0.610  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1       -0.538  -1.169  -0.898  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1       -1.618  -0.374  -0.540  0.00  0.00    -0.001 A 
ATOM      8  C   LIG    1       -3.066  -0.620  -0.749  0.00  0.00    +0.087 C 
ATOM      9  C   LIG    1       -3.668   0.530   0.102  0.00  0.00    +0.117 C 
ATOM     10  C   LIG    1       -4.816   1.240  -0.631  0.00  0.00    +0.063 C 
ATOM     11  C   LIG    1       -6.063   0.366  -0.698  0.00  0.00    +0.085 C 
ATOM     12  N   LIG    1       -6.505  -0.045   0.634  0.00  0.00    -0.316 NA
ATOM     13  H   LIG    1       -6.768   0.784   1.171  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1       -5.459  -0.770   1.355  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -4.174   0.045   1.474  0.00  0.00    +0.063 C 
ATOM     16  O   LIG    1       -2.619   1.518   0.338  0.00  0.00    -0.485 OA
ATOM     17  C   LIG    1       -1.443   0.874   0.064  0.00  0.00    +0.125 A 
ATOM     18  C   LIG    1       -0.197   1.403   0.345  0.00  0.00    +0.059 A 
ATOM     19  C   LIG    1        2.041  -1.194  -0.838  0.00  0.00    +0.255 C 
ATOM     20  O   LIG    1        2.254  -2.286  -1.329  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  27
ATOM     21  O   LIG    1        8.206  -0.111   1.142  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1        7.067  -0.208   0.696  0.00  0.00    +0.219 C 
ATOM     23  N   LIG    1        6.068  -0.801   1.427  0.00  0.00    -0.255 N 
ATOM     24  H   LIG    1        6.317  -1.088   2.364  0.00  0.00    +0.158 HD
ATOM     25  C   LIG    1        4.737  -0.928   1.094  0.00  0.00    +0.240 C 
ATOM     26  O   LIG    1        3.938  -1.406   1.897  0.00  0.00    -0.273 OA
ATOM     27  C   LIG    1        4.369  -0.512  -0.334  0.00  0.00    +0.171 C 
ATOM     28  C   LIG    1        5.240   0.658  -0.783  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1        6.704   0.252  -0.698  0.00  0.00    +0.098 C 
ENDBRANCH   1  27
TORSDOF 1