REMARK  Name = BDB023066
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.826   0.062  -1.718  0.00  0.00    +0.253 C 
ATOM      2  C   LIG    1        0.343  -1.283  -1.178  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -1.116  -1.268  -1.586  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -1.516   0.207  -1.476  0.00  0.00    +0.188 C 
ATOM      5  O   LIG    1       -0.290   0.972  -1.665  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1        6.036   1.341   0.962  0.00  0.00    -0.065 NA
ATOM      7  C   LIG    1        5.292   0.547   0.264  0.00  0.00    +0.200 A 
ATOM      8  C   LIG    1        3.918   0.889  -0.069  0.00  0.00    +0.153 A 
ATOM      9  N   LIG    1        3.189   2.006   0.248  0.00  0.00    -0.230 NA
ATOM     10  C   LIG    1        2.011   1.803  -0.308  0.00  0.00    +0.203 A 
ATOM     11  N   LIG    1        1.947   0.603  -0.968  0.00  0.00    -0.286 N 
ATOM     12  C   LIG    1        3.167  -0.003  -0.821  0.00  0.00    +0.168 A 
ATOM     13  N   LIG    1        3.525  -1.225  -1.318  0.00  0.00    -0.218 NA
ATOM     14  C   LIG    1        4.764  -1.491  -1.003  0.00  0.00    +0.200 A 
ATOM     15  N   LIG    1        5.605  -0.686  -0.270  0.00  0.00    -0.327 N 
ATOM     16  H   LIG    1        6.551  -0.984  -0.079  0.00  0.00    +0.168 HD
BRANCH   6  18
ATOM     17  C   LIG    1        8.094   1.682   1.905  0.00  0.00    +0.313 C 
ATOM     18  O   LIG    1        7.311   0.772   1.138  0.00  0.00    -0.395 OA
ENDBRANCH   6  18
ENDBRANCH   1  11
BRANCH   2  19
ATOM     19  O   LIG    1        0.996  -2.419  -1.758  0.00  0.00    -0.385 OA
ATOM     20  H   LIG    1        1.960  -2.268  -1.629  0.00  0.00    +0.210 HD
ENDBRANCH   2  19
BRANCH   3  21
ATOM     21  O   LIG    1       -1.224  -1.693  -2.956  0.00  0.00    -0.386 OA
ATOM     22  H   LIG    1       -0.584  -2.433  -3.039  0.00  0.00    +0.210 HD
ENDBRANCH   3  21
BRANCH   4  23
ATOM     23  C   LIG    1       -2.189   0.580  -0.112  0.00  0.00    +0.117 C 
ATOM     24  C   LIG    1       -2.285   2.113   0.009  0.00  0.00    +0.049 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -3.587  -0.020   0.120  0.00  0.00    -0.013 A 
ATOM     26  C   LIG    1       -4.186   0.081   1.397  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1       -5.463  -0.441   1.671  0.00  0.00    -0.032 A 
ATOM     28  C   LIG    1       -6.040  -0.299   3.052  0.00  0.00    +0.045 C 
ATOM     29  C   LIG    1       -6.162  -1.074   0.638  0.00  0.00    +0.044 A 
ATOM     30 CL   LIG    1       -7.734  -1.745   0.884  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1       -5.598  -1.174  -0.633  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1       -4.328  -0.649  -0.892  0.00  0.00    +0.008 A 
ENDBRANCH  23  25
BRANCH  23  33
ATOM     33  O   LIG    1       -1.304   0.137   0.936  0.00  0.00    -0.382 OA
ATOM     34  H   LIG    1       -1.756  -0.544   1.463  0.00  0.00    +0.211 HD
ENDBRANCH  23  33
ENDBRANCH   4  23
TORSDOF 7