REMARK  Name = BDB058421
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.708  -0.290   0.800  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1        0.015   0.909   0.715  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        1.399   0.899   0.511  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        2.079  -0.312   0.386  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        1.362  -1.508   0.461  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -0.020  -1.502   0.664  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -2.205  -0.266   1.003  0.00  0.00    +0.137 C 
BRANCH   7   8
ATOM      8  N   LIG    1       -2.846   0.150  -0.238  0.00  0.00    -0.340 N 
ATOM      9  H   LIG    1       -2.372  -0.222  -1.058  0.00  0.00    +0.146 HD
BRANCH   8  15
ATOM     10  C   LIG    1       -6.502   0.193   0.568  0.00  0.00    +0.096 A 
ATOM     11  C   LIG    1       -7.019   0.262  -0.721  0.00  0.00    +0.137 A 
ATOM     12  F   LIG    1       -8.345   0.319  -0.924  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -6.178   0.289  -1.826  0.00  0.00    +0.041 A 
ATOM     14  C   LIG    1       -4.795   0.234  -1.639  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -4.235   0.126  -0.357  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -5.107   0.140   0.740  0.00  0.00    +0.040 A 
BRANCH  10  18
ATOM     17  O   LIG    1       -6.888   0.086   2.904  0.00  0.00    -0.245 OA
ATOM     18  C   LIG    1       -7.359   0.177   1.781  0.00  0.00    +0.340 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -8.688   0.269   1.569  0.00  0.00    -0.477 OA
ATOM     20  H   LIG    1       -8.967   0.335   0.634  0.00  0.00    +0.295 HD
ENDBRANCH  18  19
ENDBRANCH  10  18
ENDBRANCH   8  15
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  21
ATOM     21  O   LIG    1        3.423  -0.467   0.184  0.00  0.00    -0.487 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.211   0.718   0.126  0.00  0.00    +0.264 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.651   0.309  -0.076  0.00  0.00    -0.010 A 
ATOM     24  C   LIG    1        6.186   0.202  -1.369  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        7.512  -0.193  -1.554  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1        8.299  -0.490  -0.447  0.00  0.00    +0.123 A 
ATOM     27  F   LIG    1        9.571  -0.870  -0.626  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1        7.785  -0.403   0.841  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        6.459  -0.009   1.028  0.00  0.00    +0.010 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 8