REMARK  Name = BDB047622
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.280  -0.723   1.257  0.00  0.00    +0.005 A 
ATOM      2  C   LIG    1       -1.467  -0.588   0.458  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1       -1.355   0.162  -0.721  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.583   0.826  -0.676  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.481   0.700  -1.462  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -3.339  -0.410  -2.016  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -4.285  -0.977  -1.013  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -3.867  -1.360   0.216  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -4.622  -1.812   0.718  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -5.469  -1.168  -1.310  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -3.214   1.794  -0.691  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -2.625  -1.285   0.878  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -2.609  -1.991   2.100  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -1.468  -2.074   2.887  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -0.307  -1.454   2.460  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  19
ATOM     16  C   LIG    1        3.463   1.071   0.131  0.00  0.00    +0.162 A 
ATOM     17  C   LIG    1        2.965  -0.033  -0.590  0.00  0.00    +0.162 A 
ATOM     18  C   LIG    1        1.748  -0.612  -0.212  0.00  0.00    +0.058 A 
ATOM     19  C   LIG    1        1.008  -0.107   0.871  0.00  0.00    -0.012 A 
ATOM     20  C   LIG    1        1.516   0.991   1.575  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        2.732   1.576   1.210  0.00  0.00    +0.050 A 
BRANCH  16  23
ATOM     22  C   LIG    1        5.213   2.673   0.423  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1        4.662   1.583  -0.301  0.00  0.00    -0.491 OA
ENDBRANCH  16  23
BRANCH  17  24
ATOM     24  O   LIG    1        3.738  -0.467  -1.639  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1        3.251  -1.558  -2.407  0.00  0.00    +0.277 C 
ENDBRANCH  17  24
ENDBRANCH   1  19
TORSDOF 3