REMARK  Name = BDB048862
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.405   0.032   1.122  0.00  0.00    -0.007 C 
ATOM      2  C   LIG    1       -2.014  -0.119   2.550  0.00  0.00    +0.040 C 
ATOM      3  C   LIG    1       -0.497  -0.280   2.458  0.00  0.00    +0.028 C 
ATOM      4  C   LIG    1       -0.062   0.389   1.134  0.00  0.00    +0.080 C 
ATOM      5  C   LIG    1       -1.340   0.295   0.350  0.00  0.00    -0.001 C 
ENDROOT
BRANCH   1  15
ATOM      6  O   LIG    1       -6.941  -0.620   2.033  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -6.085  -0.408   1.182  0.00  0.00    +0.260 A 
ATOM      8  C   LIG    1       -6.419  -0.254  -0.243  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1       -5.366  -0.007  -1.129  0.00  0.00    +0.097 A 
ATOM     10  C   LIG    1       -5.683   0.142  -2.489  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1       -7.007   0.045  -2.936  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -8.039  -0.203  -2.030  0.00  0.00    +0.002 A 
ATOM     13 CL   LIG    1       -4.454   0.453  -3.667  0.00  0.00    -0.081 Cl
ATOM     14  N   LIG    1       -4.033   0.090  -0.681  0.00  0.00    -0.228 NA
ATOM     15  C   LIG    1       -3.777  -0.057   0.579  0.00  0.00    +0.137 A 
ATOM     16  C   LIG    1       -7.746  -0.353  -0.677  0.00  0.00    +0.015 A 
ATOM     17  N   LIG    1       -4.758  -0.297   1.502  0.00  0.00    -0.307 N 
ATOM     18  H   LIG    1       -4.550  -0.405   2.482  0.00  0.00    +0.170 HD
ENDBRANCH   1  15
BRANCH   4  19
ATOM     19  N   LIG    1        1.094  -0.279   0.521  0.00  0.00    -0.296 NA
ATOM     20  C   LIG    1        2.301  -0.254   1.365  0.00  0.00    +0.085 C 
ATOM     21  C   LIG    1        3.296   0.849   1.004  0.00  0.00    +0.023 C 
ATOM     22  C   LIG    1        3.757   0.762  -0.464  0.00  0.00    +0.021 C 
ATOM     23  C   LIG    1        2.782  -0.064  -1.317  0.00  0.00    +0.023 C 
ATOM     24  C   LIG    1        1.346   0.183  -0.856  0.00  0.00    +0.085 C 
BRANCH  22  25
ATOM     25  C   LIG    1        5.191   0.276  -0.608  0.00  0.00    -0.044 A 
ATOM     26  C   LIG    1        5.582  -1.006  -0.186  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        6.906  -1.428  -0.326  0.00  0.00    +0.038 A 
ATOM     28  C   LIG    1        7.843  -0.571  -0.888  0.00  0.00    +0.123 A 
ATOM     29  F   LIG    1        9.113  -0.977  -1.021  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        7.482   0.700  -1.314  0.00  0.00    +0.038 A 
ATOM     31  C   LIG    1        6.159   1.123  -1.175  0.00  0.00    +0.007 A 
ENDBRANCH  22  25
ENDBRANCH   4  19
TORSDOF 3