REMARK  Name = BDB042618
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.249  -1.845  -0.687  0.00  0.00    +0.062 C 
ENDROOT
BRANCH   1   9
ATOM      2  C   LIG    1       -6.441   1.021  -2.307  0.00  0.00    +0.044 C 
ATOM      3  C   LIG    1       -6.207   1.262  -0.839  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1       -5.158   0.635  -0.127  0.00  0.00    -0.005 A 
ATOM      5  C   LIG    1       -4.998   0.904   1.249  0.00  0.00    +0.082 A 
ATOM      6  C   LIG    1       -3.897   0.244   1.994  0.00  0.00    +0.259 A 
ATOM      7  N   LIG    1       -3.097  -0.608   1.265  0.00  0.00    -0.326 N 
ATOM      8  H   LIG    1       -2.344  -1.058   1.791  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1       -3.233  -0.873  -0.075  0.00  0.00    +0.020 A 
ATOM     10  O   LIG    1       -3.694   0.436   3.186  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -5.867   1.781   1.898  0.00  0.00    +0.136 A 
ATOM     12  F   LIG    1       -5.743   2.061   3.203  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -6.898   2.398   1.200  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -4.220  -0.295  -0.777  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1       -7.069   2.141  -0.159  0.00  0.00    +0.007 A 
ENDBRANCH   1   9
BRANCH   1  16
ATOM     16  C   LIG    1       -0.827  -1.282  -0.797  0.00  0.00    +0.102 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -0.052  -1.355   0.512  0.00  0.00    +0.216 C 
ATOM     18  N   LIG    1        1.270  -0.936   0.479  0.00  0.00    -0.298 N 
ATOM     19  C   LIG    1        1.946  -0.398  -0.706  0.00  0.00    +0.126 C 
ATOM     20  C   LIG    1        3.218   0.396  -0.369  0.00  0.00    +0.126 C 
ATOM     21  N   LIG    1        4.154  -0.361   0.471  0.00  0.00    -0.298 N 
ATOM     22  C   LIG    1        5.524  -0.146   0.551  0.00  0.00    +0.218 C 
ATOM     23  O   LIG    1        6.229  -0.792   1.329  0.00  0.00    -0.275 OA
ATOM     24  C   LIG    1        3.556  -1.330   1.400  0.00  0.00    +0.126 C 
ATOM     25  C   LIG    1        2.078  -1.051   1.698  0.00  0.00    +0.126 C 
ATOM     26  O   LIG    1       -0.578  -1.770   1.545  0.00  0.00    -0.276 OA
BRANCH  22  27
ATOM     27  C   LIG    1        6.149   0.883  -0.393  0.00  0.00    +0.069 C 
ATOM     28  C   LIG    1        7.449   1.435   0.195  0.00  0.00    +0.017 C 
ATOM     29  C   LIG    1        6.426   0.236  -1.750  0.00  0.00    +0.017 C 
ENDBRANCH  22  27
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 4