REMARK  Name = BDB042581
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.141   0.303   0.020  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1        2.938   1.700   0.480  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1        1.617   2.266  -0.071  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        0.463   1.388   0.166  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.795   1.982   0.193  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -0.941   3.204   0.188  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        0.689  -0.025  -0.172  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1        2.013  -0.573   0.396  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        7.119  -1.064   0.599  0.00  0.00    +0.059 A 
ATOM     10  C   LIG    1        6.840   0.006  -0.254  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1        5.519   0.438  -0.426  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        4.443  -0.171   0.244  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        4.744  -1.251   1.085  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        6.063  -1.691   1.266  0.00  0.00    +0.017 A 
BRANCH   9  15
ATOM     15  C   LIG    1        8.499  -1.573   0.826  0.00  0.00    +0.339 C 
ATOM     16  O   LIG    1        8.759  -2.512   1.562  0.00  0.00    -0.245 OA
BRANCH  15  18
ATOM     17  C   LIG    1       10.750  -1.284   0.279  0.00  0.00    +0.280 C 
ATOM     18  O   LIG    1        9.399  -0.852   0.111  0.00  0.00    -0.464 OA
ENDBRANCH  15  18
ENDBRANCH   9  15
ENDBRANCH   1  12
BRANCH   5  19
ATOM     19  C   LIG    1       -1.991   1.048   0.250  0.00  0.00    +0.102 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.309   1.821   0.337  0.00  0.00    +0.062 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.500   0.894   0.359  0.00  0.00    +0.020 A 
ATOM     22  N   LIG    1       -4.723   0.190   1.516  0.00  0.00    -0.326 N 
ATOM     23  H   LIG    1       -4.112   0.313   2.316  0.00  0.00    +0.169 HD
ATOM     24  C   LIG    1       -5.758  -0.696   1.719  0.00  0.00    +0.259 A 
ATOM     25  O   LIG    1       -5.868  -1.284   2.788  0.00  0.00    -0.267 OA
ATOM     26  C   LIG    1       -6.696  -0.883   0.584  0.00  0.00    +0.082 A 
ATOM     27  C   LIG    1       -6.485  -0.159  -0.608  0.00  0.00    -0.005 A 
ATOM     28  C   LIG    1       -7.379  -0.332  -1.690  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -8.458  -1.223  -1.553  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -8.652  -1.932  -0.369  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1       -7.220   0.408  -2.992  0.00  0.00    +0.044 C 
ATOM     32  C   LIG    1       -7.773  -1.760   0.693  0.00  0.00    +0.136 A 
ATOM     33  F   LIG    1       -7.999  -2.463   1.811  0.00  0.00    -0.205 F 
ATOM     34  C   LIG    1       -5.334   0.755  -0.683  0.00  0.00    +0.030 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 6