REMARK  Name = BDB052903
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.974  -1.276   3.167  0.00  0.00    +0.061 C 
ATOM      2  C   LIG    1       -1.200  -1.071   1.688  0.00  0.00    +0.031 C 
ATOM      3  C   LIG    1       -0.923   0.341   1.130  0.00  0.00    +0.131 C 
ATOM      4  C   LIG    1       -1.555   0.635  -0.253  0.00  0.00    +0.071 C 
ATOM      5  C   LIG    1       -1.795  -0.632  -0.985  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -1.765  -1.841  -0.334  0.00  0.00    +0.152 A 
ATOM      7  N   LIG    1       -2.031  -2.784  -1.285  0.00  0.00    -0.260 N 
ATOM      8  H   LIG    1       -2.116  -3.785  -1.155  0.00  0.00    +0.191 HD
ATOM      9  N   LIG    1       -2.162  -2.266  -2.524  0.00  0.00    -0.180 NA
ATOM     10  C   LIG    1       -2.046  -0.947  -2.331  0.00  0.00    +0.140 A 
ATOM     11  N   LIG    1       -1.547  -2.106   0.971  0.00  0.00    -0.237 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -2.909   1.326  -0.165  0.00  0.00    -0.039 A 
ATOM     13  C   LIG    1       -3.988   0.792   0.561  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -5.208   1.468   0.628  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.370   2.687  -0.024  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -4.312   3.232  -0.746  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -3.091   2.558  -0.817  0.00  0.00    +0.004 A 
ENDBRANCH   4  12
BRANCH   3  18
ATOM     18  C   LIG    1        0.579   0.599   1.061  0.00  0.00    +0.227 C 
ATOM     19  N   LIG    1        1.281  -0.311   0.290  0.00  0.00    -0.285 N 
ATOM     20  H   LIG    1        0.756  -1.084  -0.108  0.00  0.00    +0.155 HD
ATOM     21  O   LIG    1        1.057   1.566   1.649  0.00  0.00    -0.275 OA
BRANCH  19  22
ATOM     22  C   LIG    1        2.662  -0.318   0.007  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1        3.141  -1.361  -0.795  0.00  0.00    +0.024 A 
ATOM     24  C   LIG    1        4.497  -1.445  -1.128  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        5.403  -0.480  -0.669  0.00  0.00    +0.055 A 
ATOM     26  C   LIG    1        4.922   0.558   0.140  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1        3.563   0.640   0.471  0.00  0.00    +0.024 A 
BRANCH  25  28
ATOM     28  C   LIG    1        6.871  -0.579  -1.005  0.00  0.00    +0.417 C 
ATOM     29  F   LIG    1        7.561  -1.320  -0.095  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        7.102  -1.162  -2.215  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        7.493   0.632  -1.052  0.00  0.00    -0.166 F 
ENDBRANCH  25  28
ENDBRANCH  19  22
ENDBRANCH   3  18
TORSDOF 4