REMARK  Name = BDB040857
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        7.707  -0.941  -0.886  0.00  0.00    +0.038 C 
ATOM      2  C   LIG    1        6.462  -0.064  -0.964  0.00  0.00    +0.156 C 
ATOM      3  N   LIG    1        5.830   0.085   0.353  0.00  0.00    -0.316 N 
ATOM      4  C   LIG    1        4.409   0.395   0.355  0.00  0.00    +0.127 C 
ATOM      5  C   LIG    1        4.089   0.334   1.818  0.00  0.00    -0.028 C 
ATOM      6  C   LIG    1        5.352   0.404   2.524  0.00  0.00    +0.020 C 
ATOM      7  C   LIG    1        2.854   0.070   2.260  0.00  0.00    -0.014 C 
ATOM      8  C   LIG    1        1.721  -0.232   1.276  0.00  0.00    +0.062 C 
ATOM      9  C   LIG    1        2.144  -0.320  -0.231  0.00  0.00    +0.196 C 
ATOM     10  F   LIG    1        1.427  -1.323  -0.827  0.00  0.00    -0.243 F 
ATOM     11  C   LIG    1        3.632  -0.645  -0.420  0.00  0.00    +0.132 C 
ATOM     12  N   LIG    1        4.114  -0.654  -1.801  0.00  0.00    -0.306 N 
ATOM     13  H   LIG    1        3.579  -1.172  -2.490  0.00  0.00    +0.149 HD
ATOM     14  C   LIG    1        6.339   0.255   1.622  0.00  0.00    +0.072 C 
ATOM     15  C   LIG    1        5.479  -0.660  -2.049  0.00  0.00    +0.234 C 
ATOM     16  O   LIG    1        5.872  -1.066  -3.144  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   8  17
ATOM     17  C   LIG    1        0.578   0.794   1.484  0.00  0.00    +0.095 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -0.584   0.634   0.596  0.00  0.00    -0.299 NA
ATOM     19  C   LIG    1       -1.329  -0.619   0.865  0.00  0.00    +0.103 C 
ATOM     20  C   LIG    1       -2.595  -0.776  -0.009  0.00  0.00    +0.120 C 
ATOM     21  N   LIG    1       -3.499   0.389   0.146  0.00  0.00    -0.324 N 
ATOM     22  C   LIG    1       -2.778   1.655  -0.127  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -1.516   1.775   0.756  0.00  0.00    +0.103 C 
BRANCH  21  24
ATOM     24  C   LIG    1       -4.863   0.284  -0.179  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -5.760   1.269   0.422  0.00  0.00    +0.024 C 
ATOM     26  C   LIG    1       -7.061   1.328   0.097  0.00  0.00    -0.006 C 
ATOM     27  C   LIG    1       -7.707   0.395  -0.884  0.00  0.00    +0.134 C 
ATOM     28  N   LIG    1       -6.819  -0.715  -1.229  0.00  0.00    -0.305 N 
ATOM     29  C   LIG    1       -7.337  -1.663  -2.203  0.00  0.00    +0.132 C 
ATOM     30  C   LIG    1       -5.455  -0.659  -0.956  0.00  0.00    +0.204 C 
ATOM     31  F   LIG    1       -4.679  -1.607  -1.533  0.00  0.00    -0.187 F 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   8  17
TORSDOF 3