REMARK  Name = BDB042625
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.635  -0.051   0.993  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.505   0.067   1.990  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        1.786  -0.123   1.494  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1        2.105  -0.398   0.087  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1        3.569  -0.097  -0.268  0.00  0.00    +0.127 C 
ATOM      6  N   LIG    1        4.516  -0.780   0.620  0.00  0.00    -0.297 N 
ATOM      7  C   LIG    1        5.748  -1.303   0.254  0.00  0.00    +0.232 C 
ATOM      8  O   LIG    1        6.405  -1.983   1.052  0.00  0.00    -0.274 OA
ATOM      9  C   LIG    1        4.060  -1.017   1.994  0.00  0.00    +0.127 C 
ATOM     10  C   LIG    1        2.919  -0.088   2.425  0.00  0.00    +0.126 C 
ATOM     11  O   LIG    1        0.295   0.325   3.175  0.00  0.00    -0.276 OA
BRANCH   7  12
ATOM     12  C   LIG    1        6.333  -1.052  -1.155  0.00  0.00    +0.135 C 
ATOM     13  C   LIG    1        6.545   0.421  -1.474  0.00  0.00    +0.033 C 
BRANCH  12  14
ATOM     14  N   LIG    1        5.539  -1.737  -2.193  0.00  0.00    -0.320 NA
ATOM     15  H   LIG    1        5.515  -2.733  -1.963  0.00  0.00    +0.119 HD
ATOM     16  H   LIG    1        6.038  -1.675  -3.081  0.00  0.00    +0.119 HD
ENDBRANCH  12  14
ENDBRANCH   7  12
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -1.998   0.013   1.685  0.00  0.00    +0.062 C 
BRANCH  17  25
ATOM     18  C   LIG    1       -5.654   3.299  -0.365  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -5.835   1.923  -0.949  0.00  0.00    -0.042 A 
ATOM     20  C   LIG    1       -5.006   0.835  -0.590  0.00  0.00    -0.005 A 
ATOM     21  C   LIG    1       -5.233  -0.428  -1.175  0.00  0.00    +0.082 A 
ATOM     22  C   LIG    1       -4.364  -1.569  -0.794  0.00  0.00    +0.259 A 
ATOM     23  N   LIG    1       -3.372  -1.301   0.124  0.00  0.00    -0.326 N 
ATOM     24  H   LIG    1       -2.809  -2.104   0.381  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -3.133  -0.076   0.695  0.00  0.00    +0.020 A 
ATOM     26  O   LIG    1       -4.493  -2.697  -1.252  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1       -6.263  -0.601  -2.098  0.00  0.00    +0.136 A 
ATOM     28  F   LIG    1       -6.503  -1.787  -2.673  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -7.078   0.467  -2.453  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -3.906   0.975   0.378  0.00  0.00    +0.030 A 
ATOM     31  C   LIG    1       -6.867   1.722  -1.883  0.00  0.00    +0.007 A 
ENDBRANCH  17  25
ENDBRANCH   1  17
TORSDOF 5