REMARK  Name = BDB051793
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.598   0.597   1.644  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1        2.623   0.424   0.648  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        1.473  -0.331   0.910  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        1.301  -0.931   2.154  0.00  0.00    +0.135 A 
ATOM      5  F   LIG    1        0.220  -1.681   2.415  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1        2.248  -0.751   3.157  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1        3.388   0.017   2.907  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.499  -0.548  -0.174  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1       -0.837  -0.204   0.022  0.00  0.00    -0.294 N 
ATOM     10  C   LIG    1       -1.753  -0.406  -1.099  0.00  0.00    +0.127 C 
ATOM     11  C   LIG    1       -3.196  -0.644  -0.636  0.00  0.00    +0.127 C 
ATOM     12  N   LIG    1       -3.655   0.355   0.338  0.00  0.00    -0.296 N 
ATOM     13  C   LIG    1       -4.994   0.676   0.579  0.00  0.00    +0.247 C 
ATOM     14  O   LIG    1       -5.326   1.142   1.676  0.00  0.00    -0.272 OA
ATOM     15  C   LIG    1       -2.723   0.564   1.455  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1       -1.282   0.806   0.990  0.00  0.00    +0.127 C 
ATOM     17  O   LIG    1        0.926  -1.032  -1.221  0.00  0.00    -0.270 OA
BRANCH  13  18
ATOM     18  C   LIG    1       -6.068   0.474  -0.541  0.00  0.00    +0.142 C 
ATOM     19  O   LIG    1       -7.341   1.001  -0.071  0.00  0.00    -0.364 OA
ATOM     20  C   LIG    1       -8.201  -0.095   0.237  0.00  0.00    +0.161 C 
ATOM     21  C   LIG    1       -7.833  -1.153  -0.768  0.00  0.00    +0.031 C 
ATOM     22  C   LIG    1       -6.330  -1.009  -0.838  0.00  0.00    +0.046 C 
ATOM     23  C   LIG    1       -5.742   1.308  -1.780  0.00  0.00    +0.051 C 
ENDBRANCH  13  18
ENDBRANCH   3   8
BRANCH   1  24
ATOM     24  C   LIG    1        4.833   1.435   1.396  0.00  0.00    +0.092 C 
BRANCH  24  34
ATOM     25  C   LIG    1        6.391  -1.073   0.916  0.00  0.00    +0.046 C 
ATOM     26  C   LIG    1        6.249  -0.089  -0.206  0.00  0.00    -0.019 A 
ATOM     27  C   LIG    1        6.760  -0.252  -1.443  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        7.501  -1.456  -1.950  0.00  0.00    +0.050 C 
ATOM     29  C   LIG    1        6.598   0.829  -2.458  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1        7.072   0.735  -3.586  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1        5.904   1.936  -2.059  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1        5.782   2.675  -2.743  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1        5.346   2.132  -0.840  0.00  0.00    -0.175 NA
ATOM     34  C   LIG    1        5.497   1.190   0.042  0.00  0.00    +0.069 A 
ENDBRANCH  24  34
ENDBRANCH   1  24
TORSDOF 4