REMARK  Name = BDB063554
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.505  -4.579  -1.257  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -0.138  -3.292  -1.036  0.00  0.00    -0.308 N 
ATOM      3  C   LIG    1        0.639  -2.170  -0.622  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        0.011  -0.933  -0.411  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        0.788   0.172  -0.005  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        2.170   0.078   0.206  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        2.775  -1.157  -0.013  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.445  -0.798  -0.623  0.00  0.00    +0.085 A 
ATOM      9  N   LIG    1       -2.009   0.468  -0.421  0.00  0.00    -0.332 N 
ATOM     10  H   LIG    1       -2.446   0.759  -1.304  0.00  0.00    +0.147 HD
ATOM     11  C   LIG    1       -3.045   0.633   0.631  0.00  0.00    +0.146 C 
ATOM     12  C   LIG    1       -4.395  -0.040   0.281  0.00  0.00    +0.300 C 
ATOM     13  C   LIG    1       -4.270  -1.526  -0.055  0.00  0.00    +0.306 C 
ATOM     14  O   LIG    1       -3.523  -1.783  -1.250  0.00  0.00    -0.479 OA
ATOM     15  F   LIG    1       -4.993   0.596  -0.764  0.00  0.00    -0.200 F 
ATOM     16  F   LIG    1       -5.249   0.074   1.339  0.00  0.00    -0.200 F 
ATOM     17  C   LIG    1       -2.158  -1.872  -1.007  0.00  0.00    +0.207 A 
ATOM     18  C   LIG    1        2.023  -2.267  -0.417  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1       -1.510  -3.205  -1.233  0.00  0.00    +0.295 A 
ATOM     20  O   LIG    1       -2.212  -4.163  -1.560  0.00  0.00    -0.264 OA
ENDROOT
BRANCH  11  21
ATOM     21  C   LIG    1       -3.089   2.118   0.937  0.00  0.00    +0.015 C 
ATOM     22  C   LIG    1       -4.351   2.911   1.188  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1       -3.569   3.133  -0.076  0.00  0.00    +0.006 C 
ENDBRANCH  11  21
BRANCH   6  24
ATOM     24  N   LIG    1        2.877   1.236   0.567  0.00  0.00    -0.312 N 
ATOM     25  H   LIG    1        2.338   1.874   1.152  0.00  0.00    +0.152 HD
BRANCH  24  26
ATOM     26  C   LIG    1        4.234   1.598   0.457  0.00  0.00    +0.071 A 
ATOM     27  C   LIG    1        4.778   2.508   1.369  0.00  0.00    +0.181 A 
ATOM     28  F   LIG    1        3.994   3.042   2.321  0.00  0.00    -0.200 F 
ATOM     29  C   LIG    1        6.120   2.840   1.271  0.00  0.00    +0.166 A 
ATOM     30 CL   LIG    1        6.853   3.945   2.360  0.00  0.00    -0.059 Cl
ATOM     31  N   LIG    1        6.959   2.340   0.337  0.00  0.00    -0.241 NA
ATOM     32  C   LIG    1        6.417   1.472  -0.541  0.00  0.00    +0.114 A 
ATOM     33  C   LIG    1        5.085   1.076  -0.520  0.00  0.00    +0.046 A 
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 3