REMARK  Name = BDB020780
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.030  -0.835  -0.646  0.00  0.00    +0.192 C 
ATOM      2  N   LIG    1       -1.031  -0.036  -1.287  0.00  0.00    -0.257 N 
ATOM      3  C   LIG    1       -1.786  -0.778  -2.181  0.00  0.00    +0.250 C 
ATOM      4  O   LIG    1       -2.734  -0.411  -2.851  0.00  0.00    -0.270 OA
ATOM      5  C   LIG    1       -1.262  -2.139  -2.186  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.693  -3.228  -2.921  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1       -1.002  -4.424  -2.742  0.00  0.00    +0.019 A 
ATOM      8 BR   LIG    1       -1.532  -5.958  -3.713  0.00  0.00    -0.050 Br
ATOM      9  C   LIG    1        0.085  -4.510  -1.856  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1        0.497  -3.389  -1.126  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -0.197  -2.196  -1.293  0.00  0.00    +0.019 A 
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1       -0.067  -0.988   0.878  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -1.310  -1.217   1.504  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -1.410  -1.385   2.889  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.262  -1.359   3.672  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -0.381  -1.560   5.375  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1        0.984  -1.189   3.079  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        1.081  -1.020   1.693  0.00  0.00    +0.010 A 
ENDBRANCH   1  12
BRANCH   1  19
ATOM     19  O   LIG    1        1.314  -0.479  -1.157  0.00  0.00    -0.338 OA
BRANCH  19  20
ATOM     20  C   LIG    1        1.816   0.818  -0.894  0.00  0.00    +0.259 C 
BRANCH  20  23
ATOM     21  C   LIG    1        5.428   2.073  -0.554  0.00  0.00    +0.131 C 
ATOM     22  N   LIG    1        3.975   2.052  -0.618  0.00  0.00    -0.306 N 
ATOM     23  C   LIG    1        3.338   0.811  -0.676  0.00  0.00    +0.241 C 
ATOM     24  O   LIG    1        3.953  -0.247  -0.525  0.00  0.00    -0.273 OA
ATOM     25  C   LIG    1        3.333   3.313  -0.956  0.00  0.00    +0.131 C 
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   1  19
BRANCH   2  26
ATOM     26  C   LIG    1       -1.345   1.362  -1.033  0.00  0.00    +0.146 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -2.263   1.598   0.141  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -1.768   2.135   1.341  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1       -2.619   2.335   2.431  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -3.968   2.007   2.326  0.00  0.00    +0.041 A 
ATOM     31 CL   LIG    1       -5.012   2.246   3.673  0.00  0.00    -0.084 Cl
ATOM     32  C   LIG    1       -4.477   1.484   1.140  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1       -3.627   1.282   0.051  0.00  0.00    +0.006 A 
ENDBRANCH  26  27
ENDBRANCH   2  26
TORSDOF 6