REMARK  Name = BDB000727
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.386   2.187   0.538  0.00  0.00    +0.008 C 
ATOM      2  C   LIG    1        1.695   2.030   0.275  0.00  0.00    +0.008 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        2.393   0.771  -0.013  0.00  0.00    -0.022 A 
ATOM      4  C   LIG    1        3.541   0.446   0.717  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        4.228  -0.739   0.450  0.00  0.00    +0.043 A 
ATOM      6 CL   LIG    1        5.632  -1.133   1.365  0.00  0.00    -0.083 Cl
ATOM      7  C   LIG    1        3.791  -1.605  -0.548  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1        2.658  -1.274  -1.285  0.00  0.00    +0.043 A 
ATOM      9 CL   LIG    1        2.111  -2.333  -2.527  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1        1.962  -0.092  -1.029  0.00  0.00    +0.028 A 
ENDBRANCH   2   3
BRANCH   1  13
ATOM     11  C   LIG    1       -2.763   0.218  -0.097  0.00  0.00    +0.121 A 
ATOM     12  C   LIG    1       -1.772   1.202  -0.167  0.00  0.00    +0.053 A 
ATOM     13  C   LIG    1       -0.627   1.130   0.636  0.00  0.00    -0.022 A 
ATOM     14  C   LIG    1       -0.494   0.069   1.537  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -1.480  -0.915   1.612  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -2.611  -0.843   0.796  0.00  0.00    +0.045 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -4.843  -0.575  -0.931  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -3.819   0.411  -0.946  0.00  0.00    -0.495 OA
ENDBRANCH  11  18
ENDBRANCH   1  13
TORSDOF 3