REMARK  Name = BDB042561
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.648  -1.015   0.573  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.460  -1.074   1.613  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -1.732  -0.691   1.194  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.842  -0.867   2.129  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1       -3.862   0.266   2.014  0.00  0.00    +0.054 C 
ATOM      6  C   LIG    1       -4.221   0.544   0.577  0.00  0.00    -0.041 C 
ATOM      7  C   LIG    1       -3.396   0.157  -0.414  0.00  0.00    -0.004 C 
ATOM      8  C   LIG    1       -2.087  -0.549  -0.217  0.00  0.00    +0.135 C 
ATOM      9  O   LIG    1       -0.226  -1.429   2.768  0.00  0.00    -0.276 OA
BRANCH   6  10
ATOM     10  C   LIG    1       -5.481   1.265   0.298  0.00  0.00    -0.022 A 
ATOM     11  C   LIG    1       -5.849   2.381   1.067  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -7.047   3.056   0.816  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -7.883   2.614  -0.201  0.00  0.00    +0.123 A 
ATOM     14  F   LIG    1       -9.031   3.261  -0.440  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1       -7.546   1.509  -0.970  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1       -6.348   0.834  -0.720  0.00  0.00    +0.011 A 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        1.992  -1.461   1.152  0.00  0.00    +0.062 C 
BRANCH  17  25
ATOM     18  C   LIG    1        6.193   1.670   0.191  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        6.123   0.591  -0.857  0.00  0.00    -0.042 A 
ATOM     20  C   LIG    1        5.109  -0.394  -0.860  0.00  0.00    -0.005 A 
ATOM     21  C   LIG    1        5.105  -1.378  -1.871  0.00  0.00    +0.082 A 
ATOM     22  C   LIG    1        4.042  -2.413  -1.870  0.00  0.00    +0.259 A 
ATOM     23  N   LIG    1        3.111  -2.332  -0.857  0.00  0.00    -0.326 N 
ATOM     24  H   LIG    1        2.412  -3.065  -0.869  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1        3.097  -1.375   0.128  0.00  0.00    +0.020 A 
ATOM     26  O   LIG    1        3.965  -3.302  -2.709  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1        6.090  -1.376  -2.857  0.00  0.00    +0.136 A 
ATOM     28  F   LIG    1        6.113  -2.295  -3.833  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1        7.087  -0.408  -2.856  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1        4.049  -0.431   0.161  0.00  0.00    +0.030 A 
ATOM     31  C   LIG    1        7.104   0.570  -1.863  0.00  0.00    +0.007 A 
ENDBRANCH  17  25
ENDBRANCH   1  17
TORSDOF 4