REMARK  Name = BDB049337
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.271  -0.722   0.547  0.00  0.00    +0.123 C 
ATOM      2  N   LIG    1        0.357  -1.629  -0.197  0.00  0.00    -0.289 NA
ATOM      3  C   LIG    1        0.672  -3.038   0.006  0.00  0.00    +0.106 C 
ATOM      4  C   LIG    1       -1.032  -1.162   0.138  0.00  0.00    +0.041 C 
ATOM      5  C   LIG    1       -1.432  -1.523   1.612  0.00  0.00    +0.024 C 
ATOM      6  C   LIG    1       -2.946  -1.626   1.815  0.00  0.00    +0.002 C 
ATOM      7  C   LIG    1       -3.554  -2.752   0.985  0.00  0.00    +0.000 C 
ATOM      8  C   LIG    1       -2.793  -3.021  -0.309  0.00  0.00    +0.002 C 
ATOM      9  C   LIG    1       -2.091  -1.769  -0.837  0.00  0.00    +0.024 C 
ATOM     10  C   LIG    1       -0.824   0.399  -0.086  0.00  0.00    +0.101 C 
ATOM     11  C   LIG    1       -1.071   0.875  -1.528  0.00  0.00    -0.009 A 
ATOM     12  C   LIG    1       -2.042   1.875  -1.533  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -2.464   2.507  -2.683  0.00  0.00    +0.043 A 
ATOM     14  C   LIG    1       -1.876   2.103  -3.881  0.00  0.00    +0.043 A 
ATOM     15  C   LIG    1       -0.898   1.094  -3.906  0.00  0.00    +0.020 A 
ATOM     16 CL   LIG    1       -2.360   2.847  -5.356  0.00  0.00    -0.083 Cl
ATOM     17  N   LIG    1       -2.486   2.110  -0.247  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1       -3.172   2.799   0.023  0.00  0.00    +0.155 HD
ATOM     19  C   LIG    1       -0.488   0.472  -2.722  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1       -1.839   1.306   0.678  0.00  0.00    +0.230 C 
ATOM     21  O   LIG    1       -2.045   1.360   1.880  0.00  0.00    -0.274 OA
ATOM     22  C   LIG    1        0.671   0.682   0.290  0.00  0.00    +0.067 C 
ENDROOT
BRANCH  22  23
ATOM     23  C   LIG    1        0.945   1.752   1.337  0.00  0.00    -0.004 A 
ATOM     24  C   LIG    1        1.018   3.094   0.922  0.00  0.00    +0.145 A 
ATOM     25  F   LIG    1        0.847   3.380  -0.380  0.00  0.00    -0.204 F 
ATOM     26  C   LIG    1        1.256   4.129   1.827  0.00  0.00    +0.076 A 
ATOM     27 CL   LIG    1        1.335   5.763   1.290  0.00  0.00    -0.081 Cl
ATOM     28  C   LIG    1        1.426   3.843   3.178  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1        1.351   2.521   3.614  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        1.109   1.485   2.704  0.00  0.00    +0.007 A 
ENDBRANCH  22  23
BRANCH   1  34
ATOM     31  C   LIG    1        6.038  -0.886  -1.797  0.00  0.00    +0.075 C 
ATOM     32  C   LIG    1        4.875  -0.878  -0.875  0.00  0.00    +0.099 A 
ATOM     33  S   LIG    1        3.276  -0.714  -1.477  0.00  0.00    -0.054 S 
ATOM     34  C   LIG    1        2.730  -0.799   0.156  0.00  0.00    +0.120 A 
ATOM     35  N   LIG    1        3.707  -0.947   1.030  0.00  0.00    -0.145 NA
ATOM     36  N   LIG    1        4.949  -0.991   0.433  0.00  0.00    -0.147 NA
ENDBRANCH   1  34
TORSDOF 2