REMARK  Name = BDB033059
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.966   0.570  -0.679  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1        0.568  -0.049  -0.748  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -0.228   0.989  -1.357  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        0.355   2.237  -1.217  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1       -0.130   3.309  -1.538  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        1.685   2.064  -0.528  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        2.854  -2.098  -0.425  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        3.230  -1.267   0.395  0.00  0.00    +0.268 C 
ATOM      9  N   LIG    1        2.804   0.046   0.382  0.00  0.00    -0.305 N 
ATOM     10  H   LIG    1        3.244   0.675   1.050  0.00  0.00    +0.149 HD
BRANCH   8  11
ATOM     11  C   LIG    1        4.166  -1.588   1.460  0.00  0.00    +0.188 A 
ATOM     12  N   LIG    1        4.600  -0.685   2.352  0.00  0.00    -0.044 NA
ATOM     13  O   LIG    1        5.468  -1.393   3.183  0.00  0.00    -0.242 OA
ATOM     14  N   LIG    1        5.563  -2.727   2.794  0.00  0.00    -0.057 NA
ATOM     15  C   LIG    1        4.758  -2.826   1.738  0.00  0.00    +0.192 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  16
ATOM     16  C   LIG    1       -1.603   0.783  -1.773  0.00  0.00    +0.143 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.555   0.685  -0.596  0.00  0.00    -0.018 A 
ATOM     18  C   LIG    1       -3.150  -0.532  -0.188  0.00  0.00    +0.059 A 
ATOM     19  C   LIG    1       -4.011  -0.531   0.928  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1       -4.284   0.644   1.627  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -3.704   1.839   1.223  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -2.849   1.860   0.122  0.00  0.00    +0.006 A 
BRANCH  18  23
ATOM     23  C   LIG    1       -2.900  -1.833  -0.917  0.00  0.00    +0.418 C 
ATOM     24  F   LIG    1       -1.583  -2.176  -0.936  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -3.296  -1.786  -2.220  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -3.549  -2.901  -0.374  0.00  0.00    -0.166 F 
ENDBRANCH  18  23
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 5