REMARK  Name = BDB023084
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.962   0.809  -0.048  0.00  0.00    +0.120 C 
ATOM      2  C   LIG    1        0.435   0.072  -1.279  0.00  0.00    +0.166 C 
ATOM      3  C   LIG    1       -0.986   0.626  -1.404  0.00  0.00    +0.151 C 
ATOM      4  C   LIG    1       -1.517   0.755   0.033  0.00  0.00    +0.055 C 
ATOM      5  C   LIG    1       -0.240   0.892   0.905  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1        6.656  -0.601   1.685  0.00  0.00    -0.066 NA
ATOM      7  C   LIG    1        5.712   0.121   1.161  0.00  0.00    +0.203 A 
ATOM      8  C   LIG    1        4.288  -0.222   1.082  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1        3.491  -1.326   1.477  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        2.186  -1.060   1.107  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1        2.146   0.182   0.512  0.00  0.00    -0.328 N 
ATOM     12  C   LIG    1        3.420   0.670   0.488  0.00  0.00    +0.124 A 
ATOM     13  N   LIG    1        3.850   1.837  -0.025  0.00  0.00    -0.332 N 
ATOM     14  H   LIG    1        3.252   2.528  -0.464  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1        5.194   2.099   0.083  0.00  0.00    +0.200 A 
ATOM     16  N   LIG    1        6.097   1.342   0.619  0.00  0.00    -0.215 NA
BRANCH   6  17
ATOM     17  O   LIG    1        6.228  -1.820   2.218  0.00  0.00    -0.408 OA
ATOM     18  H   LIG    1        7.061  -2.194   2.560  0.00  0.00    +0.328 HD
ENDBRANCH   6  17
ENDBRANCH   1  11
BRANCH   2  19
ATOM     19  O   LIG    1        1.181   0.391  -2.457  0.00  0.00    -0.387 OA
ATOM     20  H   LIG    1        2.049  -0.047  -2.363  0.00  0.00    +0.210 HD
ENDBRANCH   2  19
BRANCH   3  21
ATOM     21  O   LIG    1       -0.924   1.938  -1.983  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -0.292   1.849  -2.728  0.00  0.00    +0.210 HD
ENDBRANCH   3  21
BRANCH   4  23
ATOM     23  C   LIG    1       -2.363  -0.454   0.485  0.00  0.00    +0.150 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.796  -0.542  -0.019  0.00  0.00    -0.019 A 
ATOM     25  C   LIG    1       -4.649  -1.504   0.560  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -5.975  -1.639   0.143  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -6.471  -0.810  -0.858  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1       -8.103  -0.973  -1.375  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1       -5.651   0.153  -1.438  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -4.323   0.288  -1.020  0.00  0.00    +0.007 A 
ENDBRANCH  23  24
BRANCH  23  31
ATOM     31  O   LIG    1       -1.654  -1.653   0.163  0.00  0.00    -0.387 OA
ATOM     32  H   LIG    1       -2.287  -2.295  -0.205  0.00  0.00    +0.210 HD
ENDBRANCH  23  31
ENDBRANCH   4  23
TORSDOF 7