REMARK  Name = BDB048824
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.949   0.989   0.022  0.00  0.00    +0.167 C 
ATOM      2  C   LIG    1       -0.003  -0.018  -0.426  0.00  0.00    -0.000 A 
ATOM      3  C   LIG    1       -0.771  -1.183  -0.576  0.00  0.00    -0.011 A 
ATOM      4  C   LIG    1       -0.170  -2.363  -0.982  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        1.204  -2.349  -1.247  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        1.969  -1.174  -1.110  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -2.188  -0.921  -0.219  0.00  0.00    +0.001 C 
ATOM      8  C   LIG    1        1.357   0.009  -0.693  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1       -2.268   0.389   0.124  0.00  0.00    +0.058 C 
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -3.293  -1.886  -0.201  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1       -3.719  -2.485  -1.393  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -4.781  -3.391  -1.387  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -5.421  -3.707  -0.190  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -4.999  -3.121   1.002  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -3.938  -2.214   0.999  0.00  0.00    +0.008 A 
ENDBRANCH   7  10
BRANCH   9  16
ATOM     16  C   LIG    1       -3.463   1.121   0.610  0.00  0.00    +0.244 C 
ATOM     17  N   LIG    1       -4.602   0.932  -0.138  0.00  0.00    -0.309 N 
ATOM     18  H   LIG    1       -4.585   0.276  -0.909  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1       -3.383   1.879   1.570  0.00  0.00    -0.270 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -5.850   1.533   0.206  0.00  0.00    +0.073 C 
ATOM     21  C   LIG    1       -7.120   1.100  -0.473  0.00  0.00    +0.024 C 
ATOM     22  C   LIG    1       -6.886   0.754   0.968  0.00  0.00    +0.024 C 
ENDBRANCH  17  20
ENDBRANCH   9  16
BRANCH   1  24
ATOM     23  C   LIG    1       -1.407   3.482  -0.083  0.00  0.00    +0.191 C 
ATOM     24  N   LIG    1       -0.597   2.341   0.337  0.00  0.00    -0.181 N 
ATOM     25  O   LIG    1        0.673   2.567   0.958  0.00  0.00    -0.173 OA
ENDBRANCH   1  24
BRANCH   6  26
ATOM     26  O   LIG    1        3.296  -1.338  -1.398  0.00  0.00    -0.491 OA
BRANCH  26  27
ATOM     27  C   LIG    1        4.144  -0.184  -1.419  0.00  0.00    +0.244 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.718   0.103  -0.020  0.00  0.00    +0.125 C 
BRANCH  28  29
ATOM     29  N   LIG    1        5.626   1.264  -0.003  0.00  0.00    -0.295 NA
ATOM     30  C   LIG    1        6.967   0.959  -0.552  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1        7.853   0.108   0.376  0.00  0.00    +0.175 C 
ATOM     32  O   LIG    1        7.981   0.702   1.673  0.00  0.00    -0.377 OA
ATOM     33  C   LIG    1        6.691   0.909   2.265  0.00  0.00    +0.175 C 
ATOM     34  C   LIG    1        5.804   1.790   1.371  0.00  0.00    +0.112 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   6  26
TORSDOF 8