REMARK  Name = BDB063045
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.245   1.247  -0.673  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -0.365   0.091  -0.192  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -1.431  -0.475  -0.907  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1       -1.868   0.084  -2.117  0.00  0.00    +0.071 A 
ATOM      5 CL   LIG    1       -3.107  -0.687  -3.054  0.00  0.00    -0.081 Cl
ATOM      6  C   LIG    1       -1.262   1.267  -2.568  0.00  0.00    +0.061 A 
ATOM      7 CL   LIG    1       -1.748   2.060  -4.027  0.00  0.00    -0.082 Cl
ATOM      8  C   LIG    1       -0.220   1.854  -1.842  0.00  0.00    +0.034 A 
ENDROOT
BRANCH   1  10
ATOM      9  O   LIG    1        1.240   3.087   0.354  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        1.338   1.897   0.076  0.00  0.00    +0.244 C 
ATOM     11  N   LIG    1        2.442   1.171   0.435  0.00  0.00    -0.307 N 
ATOM     12  H   LIG    1        3.151   1.736   0.889  0.00  0.00    +0.149 HD
BRANCH  11  13
ATOM     13  C   LIG    1        2.881  -0.085  -0.142  0.00  0.00    +0.139 C 
BRANCH  13  14
ATOM     14  C   LIG    1        4.290  -0.404   0.280  0.00  0.00    -0.030 A 
ATOM     15  C   LIG    1        5.378   0.052  -0.477  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        6.686  -0.220  -0.070  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        6.917  -0.942   1.099  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        5.843  -1.389   1.865  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.535  -1.118   1.461  0.00  0.00    +0.005 A 
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   1  10
BRANCH   3  20
ATOM     20  C   LIG    1       -1.992  -1.719  -0.365  0.00  0.00    +0.250 C 
ATOM     21  N   LIG    1       -3.288  -1.809   0.075  0.00  0.00    -0.281 N 
ATOM     22  H   LIG    1       -3.564  -2.776   0.207  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1       -1.254  -2.704  -0.347  0.00  0.00    -0.270 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -4.270  -0.843   0.365  0.00  0.00    +0.034 A 
ATOM     25  C   LIG    1       -5.581  -1.313   0.526  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -6.628  -0.435   0.819  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -6.372   0.924   0.969  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.071   1.399   0.836  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -4.023   0.519   0.542  0.00  0.00    +0.023 A 
ENDBRANCH  21  24
ENDBRANCH   3  20
TORSDOF 5