REMARK  Name = BDB062096
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.795  -1.428   0.057  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1       -1.438  -0.063   0.080  0.00  0.00    +0.101 A 
ATOM      3  N   LIG    1       -0.132   0.334   0.047  0.00  0.00    -0.209 NA
ATOM      4  C   LIG    1        0.791  -0.646  -0.043  0.00  0.00    +0.234 A 
ATOM      5  C   LIG    1        0.441  -1.983  -0.093  0.00  0.00    +0.178 A 
ATOM      6  N   LIG    1       -0.846  -2.402  -0.047  0.00  0.00    -0.248 NA
ENDROOT
BRANCH   1  10
ATOM      7 BR   LIG    1       -5.586  -4.578  -2.001  0.00  0.00    -0.050 Br
ATOM      8  C   LIG    1       -4.958  -3.358  -0.700  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -3.656  -2.863  -0.787  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1       -3.171  -1.946   0.162  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -4.027  -1.570   1.213  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -5.330  -2.068   1.297  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -5.799  -2.961   0.336  0.00  0.00    +0.015 A 
ENDBRANCH   1  10
BRANCH   2  14
ATOM     14  C   LIG    1       -2.393   1.060   0.115  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -2.265   2.068   1.087  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1       -3.162   3.136   1.130  0.00  0.00    +0.019 A 
ATOM     17 BR   LIG    1       -2.969   4.468   2.457  0.00  0.00    -0.050 Br
ATOM     18  C   LIG    1       -4.196   3.229   0.203  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1       -4.330   2.250  -0.778  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -3.433   1.179  -0.825  0.00  0.00    +0.010 A 
ENDBRANCH   2  14
BRANCH   4  21
ATOM     21  O   LIG    1        2.132  -0.337  -0.083  0.00  0.00    -0.475 OA
BRANCH  21  22
ATOM     22  C   LIG    1        2.393   1.069  -0.081  0.00  0.00    +0.234 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.909   1.317  -0.151  0.00  0.00    +0.029 C 
ATOM     24  C   LIG    1        4.486   0.853  -1.500  0.00  0.00    +0.022 C 
ATOM     25  C   LIG    1        5.990   0.619  -1.397  0.00  0.00    +0.081 C 
ATOM     26  N   LIG    1        6.335  -0.443  -0.449  0.00  0.00    -0.316 NA
ATOM     27  H   LIG    1        7.261  -0.259  -0.065  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1        5.365  -0.620   0.631  0.00  0.00    +0.081 C 
ATOM     29  C   LIG    1        4.662   0.674   1.030  0.00  0.00    +0.022 C 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 5