REMARK  Name = BDB033043
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.881  -1.216   0.371  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1       -0.419  -0.681  -0.237  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -1.351  -1.767  -0.041  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -0.702  -2.979   0.106  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1       -1.219  -4.083   0.158  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        0.783  -2.723   0.132  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        1.531   1.505   0.375  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.343   0.710  -0.081  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1        2.099  -0.646  -0.186  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1        2.902  -1.258  -0.263  0.00  0.00    +0.149 HD
BRANCH   8  11
ATOM     11  C   LIG    1        3.683   1.183  -0.524  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        4.426   0.502  -1.496  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        5.679   0.989  -1.887  0.00  0.00    +0.060 A 
ATOM     14 CL   LIG    1        6.543   0.093  -3.087  0.00  0.00    -0.082 Cl
ATOM     15  C   LIG    1        6.190   2.161  -1.315  0.00  0.00    +0.059 A 
ATOM     16 CL   LIG    1        7.729   2.810  -1.751  0.00  0.00    -0.082 Cl
ATOM     17  C   LIG    1        5.440   2.848  -0.357  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1        4.189   2.364   0.034  0.00  0.00    +0.014 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  19
ATOM     19  C   LIG    1       -2.764  -1.653  -0.353  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.472  -0.689   0.575  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1       -3.946   0.576   0.154  0.00  0.00    +0.059 A 
ATOM     22  C   LIG    1       -4.584   1.411   1.093  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1       -4.748   1.010   2.418  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.280  -0.232   2.831  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.647  -1.074   1.918  0.00  0.00    +0.006 A 
BRANCH  21  26
ATOM     26  C   LIG    1       -3.797   1.050  -1.273  0.00  0.00    +0.418 C 
ATOM     27  F   LIG    1       -4.472   0.261  -2.155  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -2.502   1.058  -1.696  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -4.259   2.315  -1.484  0.00  0.00    -0.166 F 
ENDBRANCH  21  26
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 5