REMARK  Name = BDB006125
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.657  -0.408   0.883  0.00  0.00    +0.048 A 
ATOM      2  N   LIG    1       -2.422  -1.357   0.212  0.00  0.00    -0.260 N 
ATOM      3  N   LIG    1       -1.671  -2.242  -0.518  0.00  0.00    -0.166 NA
ATOM      4  C   LIG    1       -0.430  -1.816  -0.315  0.00  0.00    +0.153 A 
ATOM      5  C   LIG    1        0.888  -2.235  -0.747  0.00  0.00    +0.272 C 
ATOM      6  N   LIG    1        1.760  -1.278  -0.169  0.00  0.00    -0.252 N 
ATOM      7  C   LIG    1        1.051  -0.295   0.695  0.00  0.00    +0.146 C 
ATOM      8  O   LIG    1        1.135  -3.232  -1.402  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1       -0.363  -0.705   0.512  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        3.175  -1.256  -0.343  0.00  0.00    +0.074 A 
ATOM     11  C   LIG    1        3.794  -1.758  -1.501  0.00  0.00    +0.163 A 
ATOM     12  F   LIG    1        3.055  -2.164  -2.544  0.00  0.00    -0.202 F 
ATOM     13  C   LIG    1        5.185  -1.737  -1.642  0.00  0.00    +0.078 A 
ATOM     14 CL   LIG    1        5.932  -2.340  -3.073  0.00  0.00    -0.081 Cl
ATOM     15  C   LIG    1        5.986  -1.201  -0.637  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        5.391  -0.670   0.504  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1        3.999  -0.691   0.646  0.00  0.00    +0.026 A 
ENDBRANCH   6  10
BRANCH   7  18
ATOM     18  C   LIG    1        1.153   1.143   0.226  0.00  0.00    -0.022 A 
ATOM     19  C   LIG    1        1.365   2.163   1.171  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        1.461   3.499   0.773  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        1.348   3.831  -0.574  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1        1.466   5.476  -1.061  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1        1.140   2.839  -1.528  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        1.043   1.502  -1.131  0.00  0.00    +0.007 A 
ENDBRANCH   7  18
BRANCH   1  26
ATOM     25  C   LIG    1       -2.809   0.164   3.056  0.00  0.00    +0.014 C 
ATOM     26  C   LIG    1       -2.150   0.692   1.783  0.00  0.00    +0.032 C 
ATOM     27  C   LIG    1       -3.020   1.711   1.050  0.00  0.00    +0.014 C 
ENDBRANCH   1  26
BRANCH   2  28
ATOM     28  C   LIG    1       -3.871  -1.529   0.162  0.00  0.00    +0.221 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.390  -1.261  -1.197  0.00  0.00    +0.170 A 
ATOM     30  N   LIG    1       -3.811  -1.753  -2.335  0.00  0.00    -0.241 N 
ATOM     31  H   LIG    1       -2.967  -2.311  -2.436  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -4.509  -1.354  -3.406  0.00  0.00    -0.047 NA
ATOM     33  N   LIG    1       -5.508  -0.629  -2.920  0.00  0.00    -0.023 NA
ATOM     34  N   LIG    1       -5.449  -0.562  -1.548  0.00  0.00    -0.112 NA
ENDBRANCH  28  29
ENDBRANCH   2  28
TORSDOF 5