REMARK  Name = BDB063742
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.528   0.040  -1.019  0.00  0.00    +0.135 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1        0.062  -0.148   1.343  0.00  0.00    -0.291 OA
ATOM      3  C   LIG    1       -0.380  -0.125   0.195  0.00  0.00    +0.174 C 
BRANCH   3   4
ATOM      4  C   LIG    1       -1.857  -0.255   0.009  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -2.436  -0.700  -1.186  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -3.827  -0.794  -1.299  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -4.641  -0.451  -0.220  0.00  0.00    +0.041 A 
ATOM      8 CL   LIG    1       -6.350  -0.569  -0.367  0.00  0.00    -0.084 Cl
ATOM      9  C   LIG    1       -4.076  -0.018   0.977  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -2.687   0.077   1.092  0.00  0.00    +0.013 A 
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   1  11
ATOM     11  C   LIG    1        2.012  -0.184  -0.721  0.00  0.00    +0.177 C 
ATOM     12  O   LIG    1        2.900   0.515  -1.213  0.00  0.00    -0.291 OA
BRANCH  11  13
ATOM     13  C   LIG    1        2.449  -1.333   0.114  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1        1.766  -2.552   0.117  0.00  0.00    +0.134 A 
ATOM     15  F   LIG    1        0.686  -2.741  -0.653  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        2.207  -3.615   0.905  0.00  0.00    +0.042 A 
ATOM     17  C   LIG    1        3.348  -3.463   1.692  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        4.036  -2.253   1.676  0.00  0.00    +0.124 A 
ATOM     19  F   LIG    1        5.137  -2.115   2.426  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1        3.603  -1.189   0.892  0.00  0.00    +0.052 A 
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   1  21
ATOM     21  C   LIG    1        0.289   1.400  -1.707  0.00  0.00    +0.055 C 
BRANCH  21  22
ATOM     22  C   LIG    1        0.262   2.593  -0.786  0.00  0.00    -0.039 A 
ATOM     23  C   LIG    1        1.379   3.211  -0.253  0.00  0.00    +0.048 A 
ATOM     24  S   LIG    1        0.991   4.533   0.759  0.00  0.00    -0.105 S 
ATOM     25  C   LIG    1       -0.680   4.321   0.483  0.00  0.00    +0.045 A 
ATOM     26  C   LIG    1       -0.934   3.263  -0.360  0.00  0.00    +0.011 A 
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 6