REMARK  Name = BDB050464
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.166  -0.864   0.949  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        0.981  -1.613   2.133  0.00  0.00    +0.147 A 
ATOM      3  C   LIG    1       -0.146  -2.440   2.297  0.00  0.00    +0.035 A 
ATOM      4  C   LIG    1       -1.103  -2.527   1.287  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1       -0.951  -1.796   0.105  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1        0.192  -0.990  -0.055  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        1.808   1.134  -1.185  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1        2.562   0.869  -0.255  0.00  0.00    +0.222 C 
ATOM      9  N   LIG    1        2.297  -0.024   0.773  0.00  0.00    -0.283 N 
ATOM     10  H   LIG    1        2.986  -0.050   1.528  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        3.908   1.557  -0.082  0.00  0.00    +0.090 C 
ATOM     12  C   LIG    1        4.228   2.519  -1.218  0.00  0.00    +0.093 C 
ATOM     13  N   LIG    1        5.692   2.560  -1.208  0.00  0.00    -0.315 NA
ATOM     14  H   LIG    1        6.045   2.947  -2.083  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1        6.096   1.165  -1.060  0.00  0.00    +0.081 C 
ATOM     16  C   LIG    1        5.093   0.586  -0.071  0.00  0.00    +0.029 C 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   2  17
ATOM     17  N   LIG    1        1.944  -1.558   3.245  0.00  0.00    +0.058 N 
ATOM     18  O   LIG    1        3.040  -1.010   3.042  0.00  0.00    -0.126 OA
ATOM     19  O   LIG    1        1.612  -2.062   4.327  0.00  0.00    -0.126 OA
ENDBRANCH   2  17
BRANCH   5  20
ATOM     20  C   LIG    1       -1.984  -1.886  -1.004  0.00  0.00    +0.162 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.311  -1.418  -0.599  0.00  0.00    -0.289 N 
ATOM     22  C   LIG    1       -3.628  -0.024  -0.555  0.00  0.00    +0.059 A 
ATOM     23  C   LIG    1       -4.894   0.383  -0.115  0.00  0.00    +0.063 A 
ATOM     24  C   LIG    1       -5.249   1.737  -0.044  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -4.333   2.713  -0.421  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -3.072   2.333  -0.868  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -5.876  -0.637   0.280  0.00  0.00    +0.262 A 
ATOM     28  O   LIG    1       -6.989  -0.342   0.698  0.00  0.00    -0.267 OA
ATOM     29  N   LIG    1       -5.473  -1.936   0.155  0.00  0.00    -0.274 N 
ATOM     30  H   LIG    1       -6.134  -2.644   0.434  0.00  0.00    +0.173 HD
ATOM     31  C   LIG    1       -2.723   0.978  -0.937  0.00  0.00    +0.027 A 
ATOM     32  C   LIG    1       -4.241  -2.380  -0.231  0.00  0.00    +0.330 A 
ATOM     33  O   LIG    1       -4.014  -3.590  -0.225  0.00  0.00    -0.246 OA
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 5