REMARK  Name = BDB040581
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.715  -1.801   2.130  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.559  -1.461   1.403  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -0.676  -1.691   0.031  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -1.849  -1.356  -0.659  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -1.838  -1.658  -2.365  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -2.955  -0.780   0.003  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.806  -0.521   1.383  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -4.027   0.258   2.333  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -1.629  -0.860   2.069  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -4.233  -0.445  -0.764  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -5.499  -1.010  -0.124  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -5.539  -2.103   0.439  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -6.645  -0.268  -0.277  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -7.480  -0.659   0.139  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -6.839   0.824  -1.085  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -7.960   1.294  -1.257  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -5.624   1.349  -1.810  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -4.351   1.060  -1.032  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        2.620  -0.621   1.083  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1        1.646  -0.696   2.063  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.464   0.098   2.660  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        2.771  -1.534   0.273  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        4.179   0.788   2.453  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1        3.473   0.678   1.083  0.00  0.00    +0.086 C 
ATOM     25  C   LIG    1        2.542   1.895   0.901  0.00  0.00    +0.027 C 
BRANCH  24  26
ATOM     26  C   LIG    1        4.476   0.661  -0.063  0.00  0.00    +0.098 A 
ATOM     27  N   LIG    1        5.737   1.086   0.116  0.00  0.00    -0.082 NA
ATOM     28  O   LIG    1        6.367   0.969  -1.107  0.00  0.00    -0.350 OA
ATOM     29  C   LIG    1        5.486   0.501  -2.028  0.00  0.00    +0.240 A 
ATOM     30  C   LIG    1        4.268   0.308  -1.423  0.00  0.00    +0.081 A 
BRANCH  29  31
ATOM     31  C   LIG    1        6.002   0.320  -3.394  0.00  0.00    +0.453 C 
ATOM     32  F   LIG    1        7.002  -0.596  -3.453  0.00  0.00    -0.163 F 
ATOM     33  F   LIG    1        6.490   1.475  -3.916  0.00  0.00    -0.163 F 
ATOM     34  F   LIG    1        5.033  -0.107  -4.248  0.00  0.00    -0.163 F 
ENDBRANCH  29  31
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 6