REMARK  Name = BDB017591
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.866  -1.189   0.011  0.00  0.00    -0.031 A 
ATOM      2  C   LIG    1        1.734  -1.297   1.106  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        3.053  -0.847   1.009  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1        3.543  -0.269  -0.172  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        4.949   0.203  -0.202  0.00  0.00    +0.045 A 
ATOM      6  N   LIG    1        5.427   0.863  -1.333  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1        4.704   1.378  -1.828  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1        6.703   1.569  -1.299  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1        7.717   0.746  -0.514  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1        7.185   0.419   0.885  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        5.740  -0.004   0.870  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        5.216  -0.638   2.110  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1        5.925  -0.816   3.096  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        2.678  -0.191  -1.272  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1        3.900  -1.000   2.110  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1        3.560  -1.425   2.962  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1        1.355  -0.643  -1.182  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  18
ATOM     18  C   LIG    1       -0.560  -1.692   0.105  0.00  0.00    +0.119 C 
BRANCH  18  22
ATOM     19  N   LIG    1       -3.873  -0.049   0.242  0.00  0.00    -0.327 N 
ATOM     20  C   LIG    1       -2.618   0.695   0.004  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -1.569   0.329   1.083  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1       -1.301  -1.123   1.243  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -2.600  -1.815   1.431  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1       -3.674  -1.508   0.358  0.00  0.00    +0.120 C 
BRANCH  19  27
ATOM     25  C   LIG    1       -6.121   1.381   1.296  0.00  0.00    +0.046 C 
ATOM     26  C   LIG    1       -6.018   1.020  -0.161  0.00  0.00    -0.027 A 
ATOM     27  C   LIG    1       -4.899   0.312  -0.652  0.00  0.00    +0.033 A 
ATOM     28  C   LIG    1       -4.841  -0.004  -2.022  0.00  0.00    +0.026 A 
ATOM     29  C   LIG    1       -5.869   0.371  -2.888  0.00  0.00    +0.040 A 
ATOM     30  C   LIG    1       -6.962   1.065  -2.389  0.00  0.00    +0.124 A 
ATOM     31  F   LIG    1       -7.949   1.425  -3.219  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -7.046   1.392  -1.041  0.00  0.00    +0.043 A 
ENDBRANCH  19  27
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 3