REMARK  Name = BDB049457
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.348   4.904  -0.448  0.00  0.00    +0.116 A 
ATOM      2  C   LIG    1       -2.251   3.584  -0.069  0.00  0.00    +0.177 A 
ATOM      3  N   LIG    1       -1.080   3.494   0.683  0.00  0.00    -0.199 N 
ATOM      4  C   LIG    1       -0.673   2.273   1.254  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1        0.556   2.266   1.942  0.00  0.00    -0.299 N 
ATOM      6  H   LIG    1        0.928   3.225   1.929  0.00  0.00    +0.154 HD
ATOM      7  C   LIG    1        1.576   1.360   1.533  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1        2.611   1.805   0.695  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        3.568   0.908   0.198  0.00  0.00    -0.020 A 
ATOM     10  C   LIG    1        4.638   1.359  -0.757  0.00  0.00    +0.046 C 
ATOM     11  C   LIG    1        5.886   0.500  -0.634  0.00  0.00    +0.101 C 
ATOM     12  C   LIG    1        5.566  -0.977  -0.627  0.00  0.00    +0.218 C 
ATOM     13  O   LIG    1        6.338  -1.819  -1.079  0.00  0.00    -0.275 OA
ATOM     14  N   LIG    1        4.412  -1.348   0.007  0.00  0.00    -0.282 N 
ATOM     15  H   LIG    1        4.280  -2.340   0.163  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1        3.458  -0.451   0.503  0.00  0.00    +0.079 A 
ATOM     17  C   LIG    1        2.391  -0.911   1.277  0.00  0.00    +0.144 A 
ATOM     18  O   LIG    1        2.233  -2.245   1.553  0.00  0.00    -0.490 OA
ATOM     19  C   LIG    1        1.524  -2.929   0.504  0.00  0.00    +0.229 C 
ATOM     20  C   LIG    1        0.031  -2.998   0.830  0.00  0.00    +0.043 C 
ATOM     21  C   LIG    1       -0.736  -3.921  -0.122  0.00  0.00    +0.031 C 
ATOM     22  C   LIG    1       -2.230  -3.986   0.221  0.00  0.00    +0.160 C 
ATOM     23  O   LIG    1       -3.071  -3.342  -0.737  0.00  0.00    -0.375 OA
ATOM     24  C   LIG    1       -2.926  -1.935  -0.845  0.00  0.00    +0.137 C 
ATOM     25  C   LIG    1       -3.278  -1.127   0.406  0.00  0.00    +0.138 C 
ATOM     26  N   LIG    1       -3.468   0.228  -0.111  0.00  0.00    -0.312 N 
ATOM     27  C   LIG    1       -3.988   0.118  -1.492  0.00  0.00    +0.109 C 
ATOM     28  C   LIG    1       -2.694   1.339   0.211  0.00  0.00    +0.127 A 
ATOM     29  C   LIG    1       -3.959  -1.376  -1.819  0.00  0.00    +0.052 C 
ATOM     30  C   LIG    1        1.489  -0.005   1.834  0.00  0.00    +0.070 A 
ATOM     31  C   LIG    1       -1.480   1.212   1.091  0.00  0.00    +0.087 A 
ATOM     32  N   LIG    1       -0.423   4.692   0.753  0.00  0.00    -0.170 NA
ATOM     33  N   LIG    1       -3.034   2.495  -0.320  0.00  0.00    -0.212 NA
ATOM     34  C   LIG    1       -1.212   5.533   0.081  0.00  0.00    +0.156 A 
ENDROOT
BRANCH   1  36
ATOM     35  N   LIG    1       -4.195   6.016  -1.869  0.00  0.00    -0.191 NA
ATOM     36  C   LIG    1       -3.380   5.492  -1.230  0.00  0.00    +0.104 C 
ENDBRANCH   1  36
TORSDOF 1