REMARK  Name = BDB031088
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.091   1.492  -0.271  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1       -0.489   0.202  -0.349  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1       -1.702  -0.063  -0.867  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1       -2.536   0.939  -1.341  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -2.120   2.265  -1.252  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -0.879   2.551  -0.700  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        4.835  -0.262   0.166  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1        4.630   0.843   0.918  0.00  0.00    +0.092 A 
ATOM      9  C   LIG    1        3.354   1.479   0.926  0.00  0.00    +0.142 A 
ATOM     10  N   LIG    1        2.339   0.913   0.154  0.00  0.00    -0.298 N 
ATOM     11  C   LIG    1        1.214   1.705   0.335  0.00  0.00    +0.091 A 
ATOM     12  C   LIG    1        1.637   2.707   1.194  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1        2.547  -0.221  -0.635  0.00  0.00    +0.097 A 
ATOM     14  N   LIG    1        2.949   2.562   1.551  0.00  0.00    -0.235 NA
ATOM     15  C   LIG    1        3.755  -0.810  -0.644  0.00  0.00    +0.064 A 
BRANCH   7  17
ATOM     16  C   LIG    1        7.122  -0.544   0.797  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        5.996  -0.986   0.048  0.00  0.00    -0.495 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   3  18
ATOM     18  N   LIG    1       -2.029  -1.412  -0.903  0.00  0.00    -0.322 N 
ATOM     19  H   LIG    1       -1.182  -1.857  -0.542  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.193  -1.901  -0.138  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -4.538  -1.767  -0.854  0.00  0.00    +0.201 C 
ATOM     22  F   LIG    1       -5.069  -3.017  -1.022  0.00  0.00    -0.242 F 
ATOM     23  C   LIG    1       -5.422  -1.002   0.123  0.00  0.00    +0.119 C 
ATOM     24  N   LIG    1       -4.874  -1.278   1.465  0.00  0.00    -0.311 NA
ATOM     25  H   LIG    1       -5.154  -2.227   1.728  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -3.415  -1.269   1.247  0.00  0.00    +0.106 C 
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 4