REMARK  Name = BDB058436
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.877  -0.525   2.626  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1        1.167   0.015   1.414  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1        1.895   0.466   0.298  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1        1.210   0.956  -0.817  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -0.187   1.004  -0.825  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -0.924   0.566   0.281  0.00  0.00    -0.030 A 
ATOM      7  C   LIG    1       -0.237   0.066   1.395  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   3   8
ATOM      8  O   LIG    1        3.257   0.376   0.407  0.00  0.00    -0.487 OA
BRANCH   8   9
ATOM      9  C   LIG    1        4.039   0.830  -0.693  0.00  0.00    +0.264 C 
BRANCH   9  10
ATOM     10  C   LIG    1        5.492   0.646  -0.326  0.00  0.00    -0.008 A 
ATOM     11  C   LIG    1        6.174  -0.526  -0.688  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        7.507  -0.695  -0.324  0.00  0.00    +0.159 A 
ATOM     13  F   LIG    1        8.148  -1.816  -0.682  0.00  0.00    -0.202 F 
ATOM     14  C   LIG    1        8.168   0.286   0.404  0.00  0.00    +0.158 A 
ATOM     15  F   LIG    1        9.451   0.120   0.752  0.00  0.00    -0.202 F 
ATOM     16  C   LIG    1        7.504   1.448   0.783  0.00  0.00    +0.041 A 
ATOM     17  C   LIG    1        6.166   1.626   0.422  0.00  0.00    +0.010 A 
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   3   8
BRANCH   6  18
ATOM     18  C   LIG    1       -2.435   0.607   0.256  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.925  -0.429  -0.643  0.00  0.00    -0.340 N 
ATOM     20  H   LIG    1       -2.374  -1.283  -0.581  0.00  0.00    +0.146 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -4.295  -0.687  -0.729  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1       -5.282   0.241  -0.379  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1       -6.646  -0.046  -0.555  0.00  0.00    +0.061 A 
ATOM     24  C   LIG    1       -7.035  -1.265  -1.117  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -6.065  -2.182  -1.510  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -4.711  -1.886  -1.328  0.00  0.00    +0.023 A 
BRANCH  23  27
ATOM     27  C   LIG    1       -7.634   0.977  -0.138  0.00  0.00    +0.337 C 
ATOM     28  O   LIG    1       -7.376   2.052   0.372  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -8.905   0.606  -0.376  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1       -9.434   1.367  -0.057  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 8