REMARK  Name = BDB009445
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.465  -1.072  -2.189  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.178  -2.186  -2.719  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.453  -2.118  -3.128  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.497  -3.395  -2.839  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.833  -3.488  -2.440  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.505  -2.368  -1.926  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.813  -1.152  -1.818  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1        5.062   0.542   0.916  0.00  0.00    +0.236 C 
ATOM      9  N   LIG    1        3.823   0.652   0.295  0.00  0.00    -0.297 N 
ATOM     10  C   LIG    1        2.720  -0.199   0.761  0.00  0.00    +0.127 C 
ATOM     11  C   LIG    1        1.873  -0.746  -0.397  0.00  0.00    +0.127 C 
ATOM     12  N   LIG    1        1.382   0.311  -1.295  0.00  0.00    -0.294 N 
ATOM     13  C   LIG    1        0.224   0.224  -2.060  0.00  0.00    +0.249 C 
ATOM     14  O   LIG    1       -0.289   1.195  -2.614  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        2.073   1.599  -1.232  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1        3.565   1.447  -0.914  0.00  0.00    +0.127 C 
ATOM     17  O   LIG    1        5.249  -0.233   1.857  0.00  0.00    -0.274 OA
BRANCH   8  22
ATOM     18  O   LIG    1        8.832   1.407   2.715  0.00  0.00    -0.276 OA
ATOM     19  C   LIG    1        7.877   1.702   2.019  0.00  0.00    +0.214 C 
ATOM     20  N   LIG    1        7.499   1.040   0.869  0.00  0.00    -0.304 N 
ATOM     21  H   LIG    1        7.880   0.113   0.719  0.00  0.00    +0.149 HD
ATOM     22  C   LIG    1        6.199   1.461   0.410  0.00  0.00    +0.159 C 
ATOM     23  C   LIG    1        6.081   2.868   0.983  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1        6.892   2.811   2.277  0.00  0.00    +0.098 C 
ENDBRANCH   8  22
ENDBRANCH   1  13
BRANCH   6  25
ATOM     25  C   LIG    1       -3.961  -2.469  -1.521  0.00  0.00    +0.092 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.188  -2.103  -0.056  0.00  0.00    +0.069 A 
ATOM     27  C   LIG    1       -4.921  -0.844   0.291  0.00  0.00    -0.016 A 
ATOM     28  C   LIG    1       -5.572  -0.005  -0.773  0.00  0.00    +0.037 C 
ATOM     29  C   LIG    1       -6.520   1.062  -0.217  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -5.925   1.750   1.004  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1       -5.624   0.737   2.110  0.00  0.00    +0.041 C 
ATOM     32  C   LIG    1       -4.974  -0.518   1.595  0.00  0.00    +0.023 A 
ATOM     33  C   LIG    1       -4.388  -1.424   2.615  0.00  0.00    +0.268 A 
ATOM     34  O   LIG    1       -4.417  -1.157   3.811  0.00  0.00    -0.266 OA
ATOM     35  N   LIG    1       -3.835  -2.580   2.138  0.00  0.00    -0.243 N 
ATOM     36  H   LIG    1       -3.432  -3.216   2.819  0.00  0.00    +0.192 HD
ATOM     37  N   LIG    1       -3.698  -2.920   0.829  0.00  0.00    -0.175 NA
ENDBRANCH  25  26
ENDBRANCH   6  25
TORSDOF 4