REMARK  Name = BDB040456
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.733   1.536   0.516  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.157   1.061   0.425  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -2.906   1.256  -0.736  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -4.221   0.778  -0.835  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -5.037   1.131  -2.322  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -4.828   0.069   0.225  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -4.059  -0.108   1.395  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -4.673  -0.906   2.805  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -2.746   0.373   1.488  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -6.250  -0.484   0.136  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -6.486  -1.364  -1.090  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -5.632  -2.122  -1.548  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -7.750  -1.337  -1.627  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -7.899  -1.934  -2.429  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -8.878  -0.768  -1.093  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -9.984  -0.967  -1.588  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -8.695   0.031   0.174  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -7.299   0.627   0.253  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        1.541   0.626   0.375  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1        0.180   0.465   0.197  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -0.173  -0.324  -0.327  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.985   1.659   0.875  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1        2.427  -0.582  -0.061  0.00  0.00    +0.066 C 
ATOM     24  C   LIG    1        2.108  -0.971  -1.524  0.00  0.00    +0.025 C 
ATOM     25  C   LIG    1        2.032  -1.776   0.838  0.00  0.00    +0.025 C 
BRANCH  23  31
ATOM     26  C   LIG    1        8.880   1.544  -0.344  0.00  0.00    +0.149 C 
ATOM     27  N   LIG    1        8.024   0.548   0.259  0.00  0.00    -0.350 N 
ATOM     28  C   LIG    1        6.664   0.443   0.050  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1        6.217  -0.631   0.818  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        4.845  -0.965   0.798  0.00  0.00    +0.014 A 
ATOM     31  C   LIG    1        3.932  -0.232   0.013  0.00  0.00    -0.032 A 
ATOM     32  C   LIG    1        4.435   0.845  -0.741  0.00  0.00    +0.007 A 
ATOM     33  C   LIG    1        7.349  -1.171   1.489  0.00  0.00    +0.027 A 
ATOM     34  C   LIG    1        5.791   1.200  -0.738  0.00  0.00    +0.027 A 
ATOM     35  C   LIG    1        8.448  -0.426   1.125  0.00  0.00    +0.086 A 
ENDBRANCH  23  31
ENDBRANCH  19  23
ENDBRANCH   1  20
TORSDOF 5