REMARK  Name = BDB017659
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.027  -1.925   0.774  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1  14
ATOM      2  O   LIG    1       -6.005  -0.010  -2.656  0.00  0.00    -0.268 OA
ATOM      3  C   LIG    1       -5.386  -0.027  -1.595  0.00  0.00    +0.254 A 
ATOM      4  C   LIG    1       -5.937   0.584  -0.355  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1       -7.298   1.220  -0.461  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -7.632   2.100   0.748  0.00  0.00    +0.023 C 
ATOM      7  C   LIG    1       -7.224   1.413   2.046  0.00  0.00    +0.102 C 
ATOM      8  N   LIG    1       -5.811   1.057   1.982  0.00  0.00    -0.343 N 
ATOM      9  H   LIG    1       -5.487   0.576   2.817  0.00  0.00    +0.146 HD
ATOM     10  C   LIG    1       -5.258   0.546   0.809  0.00  0.00    +0.045 A 
ATOM     11  C   LIG    1       -3.905  -0.060   0.843  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -3.404  -0.654  -0.325  0.00  0.00    +0.051 A 
ATOM     13  C   LIG    1       -2.145  -1.259  -0.353  0.00  0.00    +0.031 A 
ATOM     14  C   LIG    1       -1.334  -1.259   0.790  0.00  0.00    -0.031 A 
ATOM     15  C   LIG    1       -1.817  -0.653   1.956  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1       -3.083  -0.055   1.979  0.00  0.00    +0.012 A 
ATOM     17  N   LIG    1       -4.165  -0.629  -1.497  0.00  0.00    -0.322 N 
ATOM     18  H   LIG    1       -3.805  -1.036  -2.349  0.00  0.00    +0.169 HD
ENDBRANCH   1  14
BRANCH   1  19
ATOM     19  N   LIG    1        0.868  -1.512  -0.360  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1        1.320  -0.105  -0.257  0.00  0.00    +0.103 C 
ATOM     21  C   LIG    1        2.667   0.127   0.468  0.00  0.00    +0.120 C 
ATOM     22  N   LIG    1        3.743  -0.750  -0.040  0.00  0.00    -0.326 N 
ATOM     23  C   LIG    1        3.317  -1.773  -1.013  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        2.018  -2.438  -0.506  0.00  0.00    +0.103 C 
BRANCH  22  25
ATOM     25  C   LIG    1        4.969  -0.139  -0.330  0.00  0.00    +0.048 A 
ATOM     26  C   LIG    1        5.204   0.828  -1.328  0.00  0.00    +0.062 A 
ATOM     27 CL   LIG    1        3.956   1.415  -2.374  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1        6.486   1.361  -1.524  0.00  0.00    +0.034 A 
ATOM     29  C   LIG    1        7.570   0.942  -0.739  0.00  0.00    +0.056 A 
ATOM     30  C   LIG    1        7.344  -0.014   0.256  0.00  0.00    +0.014 A 
ATOM     31  C   LIG    1        6.065  -0.545   0.450  0.00  0.00    +0.025 A 
BRANCH  29  32
ATOM     32  C   LIG    1        8.939   1.539  -0.944  0.00  0.00    +0.417 C 
ATOM     33  F   LIG    1        9.200   1.833  -2.248  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        9.948   0.720  -0.538  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1        9.101   2.703  -0.257  0.00  0.00    -0.166 F 
ENDBRANCH  29  32
ENDBRANCH  22  25
ENDBRANCH   1  19
TORSDOF 4