REMARK  Name = BDB030075
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.295   0.078   0.854  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.032  -0.047   0.301  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -0.102  -0.033  -0.714  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        1.448   0.412   2.028  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        4.900  -0.369  -0.232  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.752  -0.123   0.540  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        2.466  -0.196  -0.021  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        2.336  -0.518  -1.370  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        1.121  -0.591  -1.938  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        3.468  -0.766  -2.146  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        3.308  -1.169  -3.814  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        4.744  -0.693  -1.585  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        9.791  -0.214   0.628  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        8.358  -0.217   0.771  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        7.439  -0.349  -0.233  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        6.211  -0.285   0.394  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        6.381  -0.117   1.750  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        7.679  -0.080   1.945  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -1.112   0.575   1.112  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.756   0.886   2.031  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.867   1.890   0.327  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -1.325   3.082   0.941  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -1.747   1.665  -1.098  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.562   1.704   0.871  0.00  0.00    +0.193 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.443   0.639   0.192  0.00  0.00    -0.008 C 
ATOM     26  C   LIG    1       -4.855   1.042  -1.247  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1       -5.795  -0.004  -1.865  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1       -6.095  -1.121  -0.857  0.00  0.00    -0.011 C 
ATOM     29  C   LIG    1       -6.724  -0.496   0.393  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1       -4.778  -1.797  -0.455  0.00  0.00    +0.004 C 
ATOM     31  C   LIG    1       -5.758   0.517   1.019  0.00  0.00    +0.009 C 
ATOM     32  C   LIG    1       -3.803  -0.768   0.138  0.00  0.00    +0.009 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6