REMARK  Name = BDB041019
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.781   0.045   0.229  0.00  0.00    +0.083 C 
ATOM      2  C   LIG    1        0.344   0.904  -0.413  0.00  0.00    +0.171 C 
ATOM      3  C   LIG    1        0.061   2.430  -0.505  0.00  0.00    +0.240 C 
ATOM      4  O   LIG    1        0.777   3.169  -1.189  0.00  0.00    -0.273 OA
ATOM      5  N   LIG    1       -0.886   3.002   0.309  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1       -0.963   4.011   0.290  0.00  0.00    +0.156 HD
ATOM      7  C   LIG    1       -1.662   2.216   1.115  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1       -2.588   2.613   2.034  0.00  0.00    -0.253 N 
ATOM      9  C   LIG    1       -2.972   3.956   2.392  0.00  0.00    +0.174 C 
ATOM     10  N   LIG    1       -3.156   1.573   2.678  0.00  0.00    -0.175 NA
ATOM     11  C   LIG    1       -2.592   0.489   2.125  0.00  0.00    +0.066 A 
ATOM     12  C   LIG    1       -2.990  -0.871   2.566  0.00  0.00    +0.068 C 
ATOM     13  C   LIG    1       -1.653   0.847   1.127  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  18
ATOM     14  C   LIG    1       -3.381  -1.824  -2.733  0.00  0.00    +0.155 A 
ATOM     15  C   LIG    1       -2.568  -2.579  -1.884  0.00  0.00    +0.165 A 
ATOM     16  F   LIG    1       -2.571  -3.919  -1.966  0.00  0.00    -0.202 F 
ATOM     17  C   LIG    1       -1.741  -1.974  -0.939  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1       -1.710  -0.578  -0.809  0.00  0.00    -0.035 A 
ATOM     19  C   LIG    1       -2.517   0.182  -1.673  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1       -3.346  -0.434  -2.622  0.00  0.00    +0.049 A 
BRANCH  14  22
ATOM     21  C   LIG    1       -4.988  -1.795  -4.490  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -4.148  -2.535  -3.615  0.00  0.00    -0.492 OA
ENDBRANCH  14  22
ENDBRANCH   1  18
BRANCH   2  23
ATOM     23  N   LIG    1        1.642   0.791   0.280  0.00  0.00    -0.299 N 
ATOM     24  H   LIG    1        2.208   1.634   0.293  0.00  0.00    +0.150 HD
ATOM     25  C   LIG    1        2.327  -0.407   0.287  0.00  0.00    +0.245 C 
ATOM     26  O   LIG    1        1.845  -1.451  -0.137  0.00  0.00    -0.270 OA
BRANCH  25  27
ATOM     27  C   LIG    1        3.721  -0.372   0.809  0.00  0.00    +0.037 A 
ATOM     28  C   LIG    1        4.622  -1.350   0.367  0.00  0.00    +0.016 A 
ATOM     29  C   LIG    1        5.944  -1.366   0.835  0.00  0.00    -0.050 A 
ATOM     30  C   LIG    1        6.914  -2.392   0.328  0.00  0.00    +0.044 C 
ATOM     31  C   LIG    1        6.358  -0.380   1.738  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1        5.460   0.587   2.193  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        4.141   0.590   1.736  0.00  0.00    +0.013 A 
ENDBRANCH  25  27
ENDBRANCH   2  23
TORSDOF 4