REMARK  Name = BDB030119
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.381  -0.412   0.283  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -1.516   0.341   0.530  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -1.496   1.359   0.419  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.454  -1.614   0.035  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.371   0.116   0.130  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.097  -0.479   0.115  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        0.933   0.282   0.315  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        1.054   1.653   0.533  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -0.039   2.410   0.723  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        2.312   2.254   0.553  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        2.463   3.949   0.828  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        3.466   1.494   0.353  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        8.001  -1.515  -0.631  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        6.580  -1.430  -0.416  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        5.849  -0.287  -0.248  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        4.548  -0.714  -0.080  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        4.489  -2.088  -0.144  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        5.724  -2.489  -0.346  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -2.848  -0.319   0.127  0.00  0.00    -0.107 NA
ATOM     20  H   LIG    1       -2.685  -1.314  -0.109  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -3.603   0.429  -1.223  0.00  0.00    +0.079 S 
ATOM     22  O   LIG    1       -3.104   1.790  -1.238  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1       -3.438  -0.448  -2.360  0.00  0.00    -0.152 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -5.286   0.416  -0.766  0.00  0.00    +0.177 A 
ATOM     25  C   LIG    1       -5.865  -0.779  -0.358  0.00  0.00    +0.153 A 
ATOM     26  F   LIG    1       -5.151  -1.912  -0.311  0.00  0.00    -0.203 F 
ATOM     27  C   LIG    1       -7.208  -0.827   0.013  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1       -7.981   0.332  -0.030  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1       -7.402   1.531  -0.449  0.00  0.00    +0.040 A 
ATOM     30  C   LIG    1       -6.056   1.567  -0.818  0.00  0.00    +0.153 A 
ATOM     31  F   LIG    1       -5.553   2.736  -1.232  0.00  0.00    -0.203 F 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 5