REMARK  Name = BDB005963
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.679   1.169   1.687  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        3.598   0.616   0.402  0.00  0.00    +0.163 A 
ATOM      3  C   LIG    1        2.384   0.139  -0.095  0.00  0.00    +0.055 A 
ATOM      4  C   LIG    1        1.208   0.259   0.659  0.00  0.00    -0.015 A 
ATOM      5  C   LIG    1       -0.111  -0.269   0.124  0.00  0.00    +0.137 C 
ATOM      6  N   LIG    1       -1.278   0.434   0.692  0.00  0.00    -0.287 N 
ATOM      7  C   LIG    1       -1.284   0.884   2.008  0.00  0.00    +0.221 C 
ATOM      8  C   LIG    1        0.030   0.944   2.764  0.00  0.00    +0.131 C 
ATOM      9  O   LIG    1       -2.319   1.242   2.578  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        1.272   0.846   1.926  0.00  0.00    -0.030 A 
ATOM     11  C   LIG    1        2.506   1.287   2.438  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1       -0.212  -1.789   0.218  0.00  0.00    -0.023 A 
ATOM     13  C   LIG    1       -0.229  -2.463   1.451  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -0.326  -3.857   1.505  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.406  -4.593   0.328  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -0.527  -6.308   0.396  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -0.385  -3.949  -0.905  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -0.286  -2.556  -0.960  0.00  0.00    +0.007 A 
ENDBRANCH   5  12
BRANCH   6  19
ATOM     19  C   LIG    1       -2.574   0.433  -0.023  0.00  0.00    +0.077 C 
ATOM     20  C   LIG    1       -2.477   0.578  -1.548  0.00  0.00    +0.023 C 
ATOM     21  C   LIG    1       -3.856   0.794  -2.178  0.00  0.00    +0.013 C 
ATOM     22  C   LIG    1       -4.960  -0.075  -1.555  0.00  0.00    +0.055 C 
ATOM     23  C   LIG    1       -4.388  -1.238  -0.742  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1       -3.481  -0.747   0.388  0.00  0.00    +0.023 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -5.901  -0.576  -2.646  0.00  0.00    +0.133 C 
ATOM     26  O   LIG    1       -5.792  -1.696  -3.145  0.00  0.00    -0.297 OA
ATOM     27  C   LIG    1       -6.956   0.389  -3.125  0.00  0.00    +0.086 C 
ENDBRANCH  22  25
ENDBRANCH   6  19
BRANCH   1  29
ATOM     28  C   LIG    1        5.053   1.976   3.463  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1        4.923   1.551   2.114  0.00  0.00    -0.491 OA
ENDBRANCH   1  29
BRANCH   2  30
ATOM     30  O   LIG    1        4.696   0.426  -0.398  0.00  0.00    -0.486 OA
BRANCH  30  31
ATOM     31  C   LIG    1        5.257   1.659  -0.876  0.00  0.00    +0.167 C 
ATOM     32  C   LIG    1        4.855   1.832  -2.338  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1        6.773   1.558  -0.749  0.00  0.00    +0.051 C 
ENDBRANCH  30  31
ENDBRANCH   2  30
TORSDOF 6