REMARK  Name = BDB051794
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.744   1.726   0.953  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -1.910   0.599   0.882  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -1.117   0.245   1.980  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -1.147   1.002   3.146  0.00  0.00    +0.135 A 
ATOM      5  F   LIG    1       -0.379   0.684   4.197  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1       -1.953   2.133   3.221  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1       -2.744   2.498   2.128  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -0.277  -0.960   1.920  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1        0.826  -0.953   1.074  0.00  0.00    -0.294 N 
ATOM     10  C   LIG    1        1.601  -2.189   0.939  0.00  0.00    +0.127 C 
ATOM     11  C   LIG    1        2.420  -2.236  -0.355  0.00  0.00    +0.127 C 
ATOM     12  N   LIG    1        3.290  -1.064  -0.523  0.00  0.00    -0.298 N 
ATOM     13  C   LIG    1        4.404  -1.188  -1.344  0.00  0.00    +0.220 C 
ATOM     14  O   LIG    1        4.615  -2.224  -1.978  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        2.864   0.168   0.152  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1        1.345   0.231   0.379  0.00  0.00    +0.127 C 
ATOM     17  O   LIG    1       -0.615  -1.929   2.592  0.00  0.00    -0.270 OA
BRANCH  13  18
ATOM     18  C   LIG    1        5.352   0.001  -1.441  0.00  0.00    +0.090 C 
ATOM     19  C   LIG    1        6.506  -0.252  -2.407  0.00  0.00    +0.093 C 
ATOM     20  N   LIG    1        7.565   0.623  -1.894  0.00  0.00    -0.315 NA
ATOM     21  H   LIG    1        8.468   0.345  -2.277  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1        7.533   0.409  -0.450  0.00  0.00    +0.081 C 
ATOM     23  C   LIG    1        6.050   0.334  -0.118  0.00  0.00    +0.029 C 
ENDBRANCH  13  18
ENDBRANCH   3   8
BRANCH   1  24
ATOM     24  C   LIG    1       -3.596   2.146  -0.225  0.00  0.00    +0.092 C 
BRANCH  24  34
ATOM     25  C   LIG    1       -5.992   0.899   1.061  0.00  0.00    +0.046 C 
ATOM     26  C   LIG    1       -5.506   0.344  -0.245  0.00  0.00    -0.019 A 
ATOM     27  C   LIG    1       -6.059  -0.703  -0.891  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -7.207  -1.542  -0.408  0.00  0.00    +0.050 C 
ATOM     29  C   LIG    1       -5.513  -1.127  -2.213  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1       -6.003  -2.054  -2.849  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -4.441  -0.421  -2.682  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1       -4.062  -0.702  -3.580  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1       -3.834   0.617  -2.057  0.00  0.00    -0.175 NA
ATOM     34  C   LIG    1       -4.322   0.990  -0.912  0.00  0.00    +0.069 A 
ENDBRANCH  24  34
ENDBRANCH   1  24
TORSDOF 4