REMARK  Name = BDB040595
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.251  -1.708  -1.898  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        0.083  -0.375  -2.135  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -0.838   0.654  -1.890  0.00  0.00    +0.049 A 
ATOM      4 CL   LIG    1       -0.210   2.257  -2.115  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -2.152   0.387  -1.435  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -2.459  -0.967  -1.175  0.00  0.00    +0.049 A 
ATOM      7 CL   LIG    1       -3.959  -1.498  -0.492  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -1.524  -1.990  -1.403  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -3.175   1.508  -1.199  0.00  0.00    +0.215 C 
ATOM     10  C   LIG    1       -3.251   2.503  -2.381  0.00  0.00    +0.261 C 
ATOM     11  O   LIG    1       -3.151   2.173  -3.563  0.00  0.00    -0.272 OA
ATOM     12  N   LIG    1       -3.523   3.816  -2.062  0.00  0.00    -0.253 N 
ATOM     13  H   LIG    1       -3.592   4.453  -2.845  0.00  0.00    +0.158 HD
ATOM     14  C   LIG    1       -3.835   4.340  -0.834  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -4.143   5.521  -0.710  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -3.837   3.380   0.329  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1       -2.847   2.244   0.109  0.00  0.00    +0.064 C 
ATOM     18  F   LIG    1       -4.458   1.045  -1.032  0.00  0.00    -0.227 F 
ENDBRANCH   5   9
BRANCH   1  19
ATOM     19  C   LIG    1        0.774  -2.802  -2.066  0.00  0.00    +0.139 C 
BRANCH  19  21
ATOM     20  C   LIG    1        1.505  -3.253   0.239  0.00  0.00    +0.226 C 
ATOM     21  N   LIG    1        1.760  -2.719  -1.013  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1        2.360  -1.896  -1.020  0.00  0.00    +0.149 HD
ATOM     23  O   LIG    1        0.593  -4.058   0.424  0.00  0.00    -0.275 OA
BRANCH  20  24
ATOM     24  C   LIG    1        2.451  -2.775   1.360  0.00  0.00    +0.101 C 
ATOM     25  C   LIG    1        2.062  -3.471   2.680  0.00  0.00    +0.029 C 
ATOM     26  C   LIG    1        3.899  -3.181   1.026  0.00  0.00    +0.029 C 
BRANCH  24  31
ATOM     27  C   LIG    1        1.953   2.942   1.680  0.00  0.00    +0.047 C 
ATOM     28  C   LIG    1        2.071   1.461   1.595  0.00  0.00    -0.014 A 
ATOM     29  C   LIG    1        2.672   0.823   0.533  0.00  0.00    +0.117 A 
ATOM     30  N   LIG    1        2.811  -0.516   0.440  0.00  0.00    -0.239 NA
ATOM     31  C   LIG    1        2.344  -1.255   1.476  0.00  0.00    +0.143 A 
ATOM     32  N   LIG    1        1.763  -0.718   2.565  0.00  0.00    -0.239 NA
ATOM     33  C   LIG    1        1.645   0.625   2.602  0.00  0.00    +0.117 A 
ENDBRANCH  24  31
ENDBRANCH  20  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 5