REMARK  Name = BDB026852
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.505   0.806   1.288  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.361   2.049   1.507  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -1.320   2.698   2.754  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -2.086   3.840   2.990  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -2.896   4.357   1.982  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -2.934   3.737   0.735  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -2.168   2.594   0.495  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1        0.932   1.122   1.044  0.00  0.00    -0.303 NA
ATOM      9  H   LIG    1        1.392   0.242   0.793  0.00  0.00    +0.123 HD
BRANCH   8  10
ATOM     10  C   LIG    1        1.166   2.070  -0.054  0.00  0.00    +0.086 C 
BRANCH  10  11
ATOM     11  C   LIG    1        2.667   2.204  -0.378  0.00  0.00    +0.050 C 
BRANCH  11  15
ATOM     12  C   LIG    1        4.671  -1.426  -1.642  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        5.178  -0.666  -0.589  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        4.524   0.504  -0.185  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1        3.352   0.930  -0.823  0.00  0.00    -0.046 A 
ATOM     16  C   LIG    1        2.854   0.168  -1.885  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1        3.507  -1.001  -2.285  0.00  0.00    +0.046 A 
BRANCH  12  19
ATOM     18  C   LIG    1        6.392  -3.058  -1.506  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        5.208  -2.584  -2.133  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH  11  15
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   1  20
ATOM     20  C   LIG    1       -1.072  -0.204   0.249  0.00  0.00    +0.186 C 
ATOM     21  O   LIG    1       -0.482  -0.432  -0.811  0.00  0.00    -0.290 OA
BRANCH  20  22
ATOM     22  C   LIG    1       -2.324  -0.918   0.562  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1       -3.013  -1.865  -0.273  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -4.154  -2.287   0.413  0.00  0.00    +0.066 A 
ATOM     25  C   LIG    1       -5.055  -3.214  -0.124  0.00  0.00    +0.065 A 
ATOM     26  C   LIG    1       -4.797  -3.734  -1.393  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1       -3.668  -3.336  -2.103  0.00  0.00    +0.002 A 
ATOM     28 CL   LIG    1       -6.449  -3.707   0.752  0.00  0.00    -0.081 Cl
ATOM     29  N   LIG    1       -4.165  -1.629   1.619  0.00  0.00    -0.359 N 
ATOM     30  H   LIG    1       -4.887  -1.742   2.319  0.00  0.00    +0.165 HD
ATOM     31  C   LIG    1       -2.773  -2.407  -1.557  0.00  0.00    +0.011 A 
ATOM     32  C   LIG    1       -3.072  -0.811   1.724  0.00  0.00    +0.095 A 
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 8