REMARK  Name = BDB003317
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.942  -1.078   1.194  0.00  0.00    -0.284 N 
ATOM      2  C   LIG    1       -0.332  -0.583   0.796  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -1.438  -0.648   1.666  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -2.699  -0.190   1.248  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.899   0.335  -0.036  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1       -1.811   0.418  -0.916  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -1.296  -1.147   3.083  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.022  -1.867   3.312  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -0.548  -0.048  -0.487  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        1.148  -1.085   2.652  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        4.152   0.340   0.338  0.00  0.00    +0.128 A 
ATOM     12  N   LIG    1        2.997   0.099   0.997  0.00  0.00    -0.226 NA
ATOM     13  C   LIG    1        2.164  -0.847   0.505  0.00  0.00    +0.134 A 
ATOM     14  C   LIG    1        2.482  -1.609  -0.654  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1        3.696  -1.323  -1.319  0.00  0.00    -0.012 A 
ATOM     16  C   LIG    1        4.054  -2.044  -2.471  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1        3.229  -3.051  -2.970  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        2.041  -3.357  -2.321  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        1.674  -2.650  -1.175  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        4.537  -0.331  -0.813  0.00  0.00    +0.041 A 
BRANCH  11  24
ATOM     21  C   LIG    1        6.397   3.386   0.488  0.00  0.00    +0.128 C 
ATOM     22  N   LIG    1        5.643   2.250   0.017  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1        5.268   2.293  -0.921  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        5.033   1.398   0.927  0.00  0.00    +0.262 C 
ATOM     25  O   LIG    1        5.182   1.495   2.140  0.00  0.00    -0.269 OA
ENDBRANCH  11  24
ENDBRANCH   1  13
BRANCH   5  26
ATOM     26  C   LIG    1       -4.256   0.764  -0.401  0.00  0.00    -0.039 C 
ATOM     27  C   LIG    1       -4.785   2.043   0.190  0.00  0.00    +0.063 C 
ATOM     28  C   LIG    1       -6.309   2.097   0.073  0.00  0.00    +0.165 C 
ATOM     29  O   LIG    1       -6.715   1.782  -1.260  0.00  0.00    -0.375 OA
ATOM     30  C   LIG    1       -6.414   0.427  -1.608  0.00  0.00    +0.187 C 
ATOM     31  C   LIG    1       -5.026   0.018  -1.212  0.00  0.00    +0.005 C 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1       -1.944   0.972  -2.313  0.00  0.00    +0.372 C 
ATOM     33  F   LIG    1       -2.598   0.127  -3.159  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1       -2.602   2.164  -2.372  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 4