REMARK  Name = BDB040562
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.026  -1.302   1.434  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.467  -1.481   1.363  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -1.327  -0.555   1.956  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.723  -0.696   1.871  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -3.620   0.577   2.622  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -3.311  -1.784   1.193  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.418  -2.696   0.576  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -2.969  -4.053  -0.356  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -1.027  -2.546   0.660  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -4.818  -2.013   1.054  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -5.676  -1.639   2.255  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -5.523  -2.153   3.362  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -6.638  -0.676   2.060  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -7.180  -0.436   2.880  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -6.718   0.224   1.029  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -7.460   1.201   1.097  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -5.794  -0.003  -0.142  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -5.399  -1.464  -0.256  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        1.905  -0.767  -0.801  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1        1.475  -0.350   0.445  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.909   0.497   0.798  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.824  -1.943  -1.154  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        1.223   1.304  -2.019  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1        2.410   0.357  -1.747  0.00  0.00    +0.085 C 
ATOM     25  C   LIG    1        2.834  -0.303  -3.079  0.00  0.00    +0.027 C 
BRANCH  24  26
ATOM     26  C   LIG    1        3.574   1.156  -1.155  0.00  0.00    +0.078 A 
ATOM     27  N   LIG    1        3.864   0.990   0.156  0.00  0.00    -0.150 NA
ATOM     28  N   LIG    1        4.872   1.701   0.753  0.00  0.00    -0.111 NA
ATOM     29  C   LIG    1        5.588   2.580   0.027  0.00  0.00    +0.239 A 
ATOM     30  C   LIG    1        5.315   2.812  -1.303  0.00  0.00    +0.071 A 
ATOM     31  C   LIG    1        4.289   2.088  -1.905  0.00  0.00    +0.031 A 
BRANCH  29  32
ATOM     32  O   LIG    1        6.579   3.331   0.608  0.00  0.00    -0.415 OA
BRANCH  32  33
ATOM     33  C   LIG    1        6.946   2.832   1.880  0.00  0.00    +0.542 C 
ATOM     34  F   LIG    1        7.798   3.742   2.424  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1        7.666   1.693   1.712  0.00  0.00    -0.166 F 
ENDBRANCH  32  33
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 7