REMARK  Name = BDB042588
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.741  -0.310  -0.932  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.472  -0.985  -1.551  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        1.679  -0.815  -0.892  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1        2.897  -1.389  -1.470  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1        4.140  -0.510  -1.241  0.00  0.00    +0.124 C 
ATOM      6  N   LIG    1        4.336  -0.186   0.186  0.00  0.00    -0.327 N 
ATOM      7  C   LIG    1        3.177  -0.350   1.077  0.00  0.00    +0.124 C 
ATOM      8  C   LIG    1        1.856  -0.044   0.344  0.00  0.00    +0.126 C 
ATOM      9  O   LIG    1        0.378  -1.651  -2.582  0.00  0.00    -0.276 OA
BRANCH   6  10
ATOM     10  C   LIG    1        5.608   0.056   0.683  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        6.638   0.543  -0.142  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        7.925   0.799   0.347  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1        8.212   0.572   1.686  0.00  0.00    +0.041 A 
ATOM     14 CL   LIG    1        9.789   0.883   2.294  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1        7.221   0.096   2.534  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1        5.936  -0.155   2.033  0.00  0.00    +0.024 A 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -1.979  -0.453  -1.820  0.00  0.00    +0.062 C 
BRANCH  17  25
ATOM     18  C   LIG    1       -6.497  -2.035   0.546  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -6.448  -0.532   0.495  0.00  0.00    -0.040 A 
ATOM     20  C   LIG    1       -5.367   0.171  -0.078  0.00  0.00    -0.008 A 
ATOM     21  C   LIG    1       -5.396   1.581  -0.090  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1       -4.264   2.328  -0.694  0.00  0.00    +0.257 A 
ATOM     23  N   LIG    1       -3.237   1.571  -1.209  0.00  0.00    -0.326 N 
ATOM     24  H   LIG    1       -2.488   2.105  -1.634  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -3.190   0.198  -1.198  0.00  0.00    +0.020 A 
ATOM     26  O   LIG    1       -4.241   3.552  -0.730  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1       -6.469   2.292   0.453  0.00  0.00    +0.052 A 
ATOM     28  C   LIG    1       -7.521   1.588   1.012  0.00  0.00    +0.124 A 
ATOM     29  F   LIG    1       -8.557   2.254   1.538  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -4.202  -0.508  -0.668  0.00  0.00    +0.030 A 
ATOM     31  C   LIG    1       -7.522   0.196   1.038  0.00  0.00    +0.042 A 
ENDBRANCH  17  25
ENDBRANCH   1  17
TORSDOF 4