REMARK  Name = BDB048108
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.065  -0.455  -0.061  0.00  0.00    +0.215 A 
ATOM      2  N   LIG    1       -0.538   0.299   0.951  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1       -1.780   0.811   0.795  0.00  0.00    +0.118 A 
ATOM      4  C   LIG    1       -2.575   0.620  -0.333  0.00  0.00    -0.028 A 
ATOM      5  C   LIG    1       -2.039  -0.153  -1.365  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -0.766  -0.700  -1.229  0.00  0.00    +0.067 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        1.200  -0.998   0.014  0.00  0.00    -0.476 OA
BRANCH   7   8
ATOM      8  C   LIG    1        1.845  -0.849   1.286  0.00  0.00    +0.237 C 
BRANCH   8   9
ATOM      9  C   LIG    1        2.543   0.505   1.429  0.00  0.00    +0.100 C 
BRANCH   9  12
ATOM     10  C   LIG    1        2.816   1.519  -1.771  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        3.795   1.054  -0.775  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        3.726   0.629   0.534  0.00  0.00    +0.086 A 
ATOM     13  N   LIG    1        4.987   0.297   0.977  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1        5.768   0.524  -0.064  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1        5.102   0.988  -1.169  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1        7.213   0.349  -0.188  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        7.897   0.638  -1.379  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        9.281   0.461  -1.469  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        9.998  -0.006  -0.370  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        9.335  -0.297   0.820  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        7.951  -0.120   0.909  0.00  0.00    +0.013 A 
ENDBRANCH  14  16
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1       -3.949   1.231  -0.433  0.00  0.00    +0.051 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.119   0.370   0.092  0.00  0.00    +0.102 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.949   0.134   1.578  0.00  0.00    +0.308 C 
ATOM     25  O   LIG    1       -4.662  -0.908   2.140  0.00  0.00    -0.251 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -5.154   1.254   2.300  0.00  0.00    -0.480 OA
ATOM     27  H   LIG    1       -5.037   0.958   3.228  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  23  24
BRANCH  23  28
ATOM     28  C   LIG    1       -5.289  -0.944  -0.701  0.00  0.00    +0.018 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -6.713  -1.546  -0.750  0.00  0.00    -0.016 C 
ATOM     30  C   LIG    1       -7.280  -1.903   0.622  0.00  0.00    +0.007 C 
ATOM     31  C   LIG    1       -7.694  -0.652  -1.514  0.00  0.00    +0.007 C 
ENDBRANCH  28  29
ENDBRANCH  23  28
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 11