REMARK  Name = BDB040570
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.099   1.390  -0.713  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -0.576   1.854   0.418  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -1.963   1.690   0.547  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1       -2.663   2.357   1.985  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -2.724   1.035  -0.446  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.026   0.584  -1.587  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1       -2.819  -0.188  -2.921  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -0.641   0.754  -1.713  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.231   0.825  -0.320  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1       -4.646   0.148   0.984  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -3.985  -0.738   1.523  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -5.863   0.518   1.505  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -6.133   0.054   2.361  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -6.841   1.269   0.903  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -7.957   1.374   1.403  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -6.498   1.871  -0.438  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -5.005   2.126  -0.562  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        1.593   1.527  -0.837  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1        2.658  -0.653  -1.327  0.00  0.00    +0.228 C 
ATOM     20  N   LIG    1        2.245   0.306  -0.423  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        2.306   0.120   0.572  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        2.555  -0.485  -2.541  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        2.104  -2.648   0.095  0.00  0.00    +0.030 C 
ATOM     24  C   LIG    1        3.211  -1.953  -0.717  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        3.669  -2.914  -1.827  0.00  0.00    +0.030 C 
BRANCH  24  26
ATOM     26  C   LIG    1        4.358  -1.572   0.166  0.00  0.00    +0.242 A 
ATOM     27  O   LIG    1        5.579  -1.386  -0.419  0.00  0.00    -0.337 OA
ATOM     28  N   LIG    1        6.461  -1.021   0.596  0.00  0.00    -0.055 NA
ATOM     29  C   LIG    1        5.690  -1.011   1.696  0.00  0.00    +0.238 A 
ATOM     30  N   LIG    1        4.368  -1.338   1.461  0.00  0.00    -0.190 NA
BRANCH  29  31
ATOM     31  C   LIG    1        6.227  -0.659   3.043  0.00  0.00    +0.411 C 
ATOM     32  F   LIG    1        5.894  -1.592   3.979  0.00  0.00    -0.200 F 
ATOM     33  F   LIG    1        5.714   0.523   3.489  0.00  0.00    -0.200 F 
ENDBRANCH  29  31
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6