REMARK  Name = BDB058431
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.787   2.449  -1.249  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -1.123   1.350  -0.464  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1       -1.886   0.312   0.101  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1       -1.244  -0.699   0.821  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        0.144  -0.681   0.982  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        0.915   0.349   0.431  0.00  0.00    -0.030 A 
ATOM      7  C   LIG    1        0.272   1.358  -0.297  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   3   8
ATOM      8  O   LIG    1       -3.236   0.388  -0.115  0.00  0.00    -0.487 OA
BRANCH   8   9
ATOM      9  C   LIG    1       -4.053  -0.636   0.444  0.00  0.00    +0.264 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -5.487  -0.332   0.082  0.00  0.00    -0.010 A 
ATOM     11  C   LIG    1       -6.047  -0.844  -1.100  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -7.367  -0.546  -1.442  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -8.123   0.271  -0.610  0.00  0.00    +0.123 A 
ATOM     14  F   LIG    1       -9.389   0.557  -0.940  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1       -7.583   0.799   0.556  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1       -6.264   0.503   0.901  0.00  0.00    +0.010 A 
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   3   8
BRANCH   6  17
ATOM     17  C   LIG    1        2.417   0.352   0.599  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  N   LIG    1        2.991  -0.702  -0.227  0.00  0.00    -0.340 N 
ATOM     19  H   LIG    1        2.512  -0.793  -1.120  0.00  0.00    +0.146 HD
BRANCH  18  20
ATOM     20  C   LIG    1        4.379  -0.808  -0.357  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1        5.287  -0.296   0.578  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        6.669  -0.497   0.430  0.00  0.00    +0.061 A 
ATOM     23  C   LIG    1        7.155  -1.242  -0.648  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1        6.264  -1.794  -1.563  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        4.891  -1.587  -1.407  0.00  0.00    +0.023 A 
BRANCH  22  26
ATOM     26  C   LIG    1        7.649   0.054   1.397  0.00  0.00    +0.337 C 
ATOM     27  O   LIG    1        8.856  -0.095   1.351  0.00  0.00    -0.245 OA
BRANCH  26  28
ATOM     28  O   LIG    1        7.074   0.773   2.378  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1        7.833   1.062   2.927  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  22  26
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   6  17
TORSDOF 8