REMARK  Name = BDB006142
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.507  -0.196   0.402  0.00  0.00    -0.265 N 
ATOM      2  C   LIG    1        1.470   0.653   0.029  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1        0.359   0.105   0.638  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -1.108   0.272   0.831  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1       -1.423  -0.893   1.720  0.00  0.00    -0.252 N 
ATOM      6  C   LIG    1       -0.276  -1.670   2.030  0.00  0.00    +0.272 C 
ATOM      7  O   LIG    1       -0.175  -2.665   2.730  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        0.806  -1.007   1.337  0.00  0.00    +0.153 A 
ATOM      9  N   LIG    1        2.110  -1.216   1.213  0.00  0.00    -0.166 NA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -2.746  -1.163   2.195  0.00  0.00    +0.074 A 
ATOM     11  C   LIG    1       -3.769  -0.200   2.142  0.00  0.00    +0.163 A 
ATOM     12  F   LIG    1       -3.507   1.043   1.711  0.00  0.00    -0.202 F 
ATOM     13  C   LIG    1       -5.066  -0.483   2.585  0.00  0.00    +0.078 A 
ATOM     14 CL   LIG    1       -6.296   0.721   2.510  0.00  0.00    -0.081 Cl
ATOM     15  C   LIG    1       -5.375  -1.737   3.099  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -4.379  -2.704   3.173  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1       -3.082  -2.418   2.728  0.00  0.00    +0.026 A 
ENDBRANCH   5  10
BRANCH   4  18
ATOM     18  C   LIG    1       -1.723   0.191  -0.563  0.00  0.00    -0.019 A 
ATOM     19  C   LIG    1       -2.263   1.330  -1.211  0.00  0.00    -0.044 A 
ATOM     20  C   LIG    1       -2.314   2.695  -0.573  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -2.837   1.193  -2.490  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1       -2.858  -0.040  -3.138  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -3.557  -0.173  -4.704  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -2.320  -1.161  -2.523  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -1.762  -1.047  -1.249  0.00  0.00    +0.007 A 
ENDBRANCH   4  18
BRANCH   2  26
ATOM     26  C   LIG    1        1.569   1.872  -0.847  0.00  0.00    +0.032 C 
ATOM     27  C   LIG    1        2.301   3.023  -0.161  0.00  0.00    +0.014 C 
ATOM     28  C   LIG    1        2.123   1.575  -2.238  0.00  0.00    +0.014 C 
ENDBRANCH   2  26
BRANCH   1  29
ATOM     29  C   LIG    1        3.914  -0.151   0.056  0.00  0.00    +0.172 C 
BRANCH  29  30
ATOM     30  C   LIG    1        4.280  -1.220  -0.968  0.00  0.00    +0.182 C 
BRANCH  30  32
ATOM     31  C   LIG    1        6.591  -1.609  -0.571  0.00  0.00    +0.194 C 
ATOM     32  O   LIG    1        5.619  -1.047  -1.444  0.00  0.00    -0.381 OA
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH   1  29
TORSDOF 6