REMARK  Name = BDB019562
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.772  -0.324  -0.926  0.00  0.00    -0.026 A 
ATOM      2  C   LIG    1       -2.024   1.058  -0.875  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1       -1.242   1.922  -0.090  0.00  0.00    -0.015 A 
ATOM      4  C   LIG    1       -0.185   1.376   0.651  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        0.101   0.006   0.597  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -0.692  -0.840  -0.190  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.531   3.363  -0.031  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.324   4.237  -1.121  0.00  0.00    +0.051 A 
ATOM      9 CL   LIG    1       -0.680   3.679  -2.629  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1       -1.618   5.598  -1.016  0.00  0.00    +0.059 A 
ATOM     11  C   LIG    1       -2.119   6.099   0.177  0.00  0.00    +0.125 A 
ATOM     12  F   LIG    1       -2.402   7.404   0.276  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -2.331   5.270   1.269  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -2.037   3.909   1.166  0.00  0.00    +0.013 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  C   LIG    1        1.238  -0.505   1.414  0.00  0.00    +0.244 C 
ATOM     16  N   LIG    1        1.859  -1.648   0.960  0.00  0.00    -0.307 N 
ATOM     17  H   LIG    1        1.665  -1.981   0.028  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1        1.593   0.107   2.415  0.00  0.00    -0.270 OA
BRANCH  16  19
ATOM     19  C   LIG    1        3.042  -2.168   1.609  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.287  -1.728   0.880  0.00  0.00    -0.029 A 
ATOM     21  C   LIG    1        4.805  -0.439   1.083  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1        5.944  -0.008   0.395  0.00  0.00    +0.060 A 
ATOM     23 CL   LIG    1        6.514   1.593   0.702  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1        6.575  -0.869  -0.509  0.00  0.00    +0.059 A 
ATOM     25 CL   LIG    1        7.984  -0.411  -1.398  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1        6.062  -2.152  -0.720  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        4.923  -2.579  -0.033  0.00  0.00    +0.007 A 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   5  15
BRANCH   1  28
ATOM     28  C   LIG    1       -2.630  -1.200  -1.810  0.00  0.00    +0.158 C 
BRANCH  28  31
ATOM     29  C   LIG    1       -4.594  -1.549   0.554  0.00  0.00    +0.086 C 
ATOM     30  C   LIG    1       -3.881  -2.649  -0.144  0.00  0.00    +0.107 A 
ATOM     31  N   LIG    1       -3.000  -2.462  -1.185  0.00  0.00    -0.330 N 
ATOM     32  C   LIG    1       -2.554  -3.697  -1.580  0.00  0.00    +0.107 A 
ATOM     33  C   LIG    1       -3.175  -4.588  -0.740  0.00  0.00    +0.130 A 
ATOM     34  N   LIG    1       -3.987  -3.931   0.143  0.00  0.00    -0.241 NA
ENDBRANCH  28  31
ENDBRANCH   1  28
TORSDOF 6