REMARK  Name = BDB042500
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.547   0.989   0.110  0.00  0.00    +0.054 C 
ENDROOT
BRANCH   1   9
ATOM      2  C   LIG    1       -6.476   0.477  -1.887  0.00  0.00    +0.044 C 
ATOM      3  C   LIG    1       -6.409  -0.158  -0.524  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -5.226  -0.174   0.246  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1       -5.244  -0.789   1.516  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -4.005  -0.809   2.332  0.00  0.00    +0.257 A 
ATOM      7  N   LIG    1       -2.897  -0.215   1.775  0.00  0.00    -0.326 N 
ATOM      8  H   LIG    1       -2.063  -0.232   2.352  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1       -2.861   0.381   0.537  0.00  0.00    +0.020 A 
ATOM     10  O   LIG    1       -3.969  -1.327   3.442  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -6.404  -1.378   2.023  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1       -7.556  -1.353   1.255  0.00  0.00    +0.124 A 
ATOM     13  F   LIG    1       -8.677  -1.914   1.727  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -3.967   0.425  -0.223  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1       -7.570  -0.755  -0.001  0.00  0.00    +0.042 A 
ENDBRANCH   1   9
BRANCH   1  16
ATOM     16  C   LIG    1       -0.517  -0.085  -0.262  0.00  0.00    +0.021 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.799   0.511  -0.785  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.446   1.426   0.168  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1        2.427   2.303  -0.499  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1        3.652   1.558  -1.062  0.00  0.00    +0.051 C 
ATOM     21  C   LIG    1        4.203   0.546  -0.084  0.00  0.00    -0.042 C 
ATOM     22  C   LIG    1        3.474   0.181   0.987  0.00  0.00    -0.008 C 
ATOM     23  C   LIG    1        2.101   0.723   1.284  0.00  0.00    +0.112 C 
BRANCH  21  24
ATOM     24  C   LIG    1        5.544  -0.018  -0.340  0.00  0.00    -0.022 A 
ATOM     25  C   LIG    1        5.917  -0.419  -1.633  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1        7.191  -0.939  -1.879  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1        8.098  -1.055  -0.835  0.00  0.00    +0.123 A 
ATOM     28  F   LIG    1        9.319  -1.552  -1.072  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1        7.758  -0.659   0.451  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1        6.484  -0.140   0.698  0.00  0.00    +0.011 A 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5