REMARK  Name = BDB050028
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -8.164  -1.473   0.122  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -7.008  -1.064   0.167  0.00  0.00    +0.257 A 
ATOM      3  C   LIG    1       -6.547   0.065  -0.681  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -5.210   0.506  -0.601  0.00  0.00    -0.004 A 
ATOM      5  C   LIG    1       -4.843   1.581  -1.432  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -5.763   2.184  -2.299  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -7.075   1.728  -2.359  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -4.279  -0.167   0.332  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -4.756  -1.232   1.118  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1       -3.929  -1.910   2.018  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1       -2.595  -1.536   2.153  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1       -2.083  -0.481   1.393  0.00  0.00    -0.045 A 
ATOM     13  C   LIG    1       -2.927   0.190   0.489  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1       -7.470   0.668  -1.549  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -6.090  -1.638   1.009  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1       -6.438  -2.403   1.573  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  12  17
ATOM     17  C   LIG    1       -0.629  -0.085   1.520  0.00  0.00    +0.050 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.247  -0.810   0.484  0.00  0.00    +0.089 C 
BRANCH  18  19
ATOM     19  N   LIG    1        1.686  -0.544   0.656  0.00  0.00    -0.298 NA
ATOM     20  C   LIG    1        2.060   0.823   0.261  0.00  0.00    +0.089 C 
ATOM     21  C   LIG    1        3.540   1.112   0.575  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1        4.453  -0.014   0.159  0.00  0.00    -0.042 C 
ATOM     23  C   LIG    1        3.939  -1.212  -0.176  0.00  0.00    -0.008 C 
ATOM     24  C   LIG    1        2.471  -1.522  -0.120  0.00  0.00    +0.112 C 
BRANCH  22  25
ATOM     25  C   LIG    1        5.904   0.233   0.103  0.00  0.00    -0.022 A 
ATOM     26  C   LIG    1        6.427   1.303  -0.635  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        7.804   1.533  -0.677  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        8.675   0.697   0.019  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        8.169  -0.370   0.758  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        6.792  -0.601   0.799  0.00  0.00    +0.008 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  12  17
TORSDOF 4