REMARK  Name = BDB062945
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.467   0.557   1.081  0.00  0.00    +0.165 C 
ATOM      2  N   LIG    1       -0.795   0.376   0.372  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1       -1.321  -0.893   0.185  0.00  0.00    +0.227 C 
ATOM      4  O   LIG    1       -0.770  -1.859   0.734  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1       -1.350   1.655  -0.047  0.00  0.00    +0.145 C 
ATOM      6  C   LIG    1       -0.335   2.699   0.409  0.00  0.00    +0.186 C 
ATOM      7  F   LIG    1        0.533   2.964  -0.603  0.00  0.00    -0.244 F 
ATOM      8  C   LIG    1        0.427   2.016   1.535  0.00  0.00    +0.070 C 
ENDROOT
BRANCH   1  10
ATOM      9  O   LIG    1        1.551   0.093  -1.054  0.00  0.00    -0.273 OA
ATOM     10  C   LIG    1        1.678   0.272   0.155  0.00  0.00    +0.239 C 
ATOM     11  N   LIG    1        2.873   0.269   0.845  0.00  0.00    -0.269 N 
ATOM     12  H   LIG    1        2.868   0.372   1.851  0.00  0.00    +0.156 HD
BRANCH  11  13
ATOM     13  C   LIG    1        4.167   0.081   0.352  0.00  0.00    +0.126 A 
ATOM     14  N   LIG    1        5.096   0.115   1.333  0.00  0.00    -0.229 NA
ATOM     15  C   LIG    1        6.374  -0.059   0.923  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1        6.733  -0.257  -0.401  0.00  0.00    +0.084 A 
ATOM     17  N   LIG    1        8.094  -0.387  -0.389  0.00  0.00    -0.275 N 
ATOM     18  H   LIG    1        8.709  -0.545  -1.180  0.00  0.00    +0.189 HD
ATOM     19  N   LIG    1        8.646  -0.288   0.837  0.00  0.00    -0.180 NA
ATOM     20  C   LIG    1        5.782  -0.289  -1.413  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1        7.589  -0.089   1.634  0.00  0.00    +0.162 A 
ATOM     22  C   LIG    1        4.460  -0.111  -0.997  0.00  0.00    +0.046 A 
ENDBRANCH  11  13
ENDBRANCH   1  10
BRANCH   3  23
ATOM     23  C   LIG    1       -2.623  -1.045  -0.717  0.00  0.00    +0.072 C 
ATOM     24  C   LIG    1       -2.778  -2.490  -1.360  0.00  0.00    +0.021 C 
ATOM     25  C   LIG    1       -3.266  -1.810  -2.647  0.00  0.00    +0.003 C 
ATOM     26  C   LIG    1       -2.484  -0.563  -2.210  0.00  0.00    +0.021 C 
BRANCH  23  27
ATOM     27  C   LIG    1       -3.908  -0.587   0.166  0.00  0.00    -0.032 A 
ATOM     28  C   LIG    1       -4.810   0.420  -0.238  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1       -5.909   0.794   0.545  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -6.140   0.162   1.761  0.00  0.00    +0.041 A 
ATOM     31 CL   LIG    1       -7.486   0.622   2.725  0.00  0.00    -0.084 Cl
ATOM     32  C   LIG    1       -5.284  -0.841   2.196  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1       -4.189  -1.207   1.405  0.00  0.00    +0.006 A 
ENDBRANCH  23  27
ENDBRANCH   3  23
TORSDOF 4