REMARK  Name = BDB030061
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.276   0.661  -0.330  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -1.238   0.350  -1.276  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -1.170  -0.515  -1.819  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.507   1.460   0.575  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.312  -0.285   0.451  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.042   0.316   0.497  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        1.045  -0.014  -0.436  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        1.329  -0.958  -1.422  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        0.395  -1.300  -2.324  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        2.585  -1.560  -1.478  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        2.938  -2.725  -2.699  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        3.574  -1.229  -0.550  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        7.426   0.012   3.224  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        6.120   0.222   2.655  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        5.569  -0.459   1.604  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        4.314   0.091   1.438  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        4.108   1.087   2.365  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        5.209   1.143   3.080  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -2.672   0.786  -0.928  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1       -2.653   1.405  -0.099  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -3.727  -0.520  -0.596  0.00  0.00    +0.074 S 
ATOM     22  O   LIG    1       -3.178  -1.700  -1.234  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1       -4.024  -0.481   0.819  0.00  0.00    -0.152 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -5.170  -0.027  -1.495  0.00  0.00    +0.110 A 
ATOM     25  C   LIG    1       -6.263   0.511  -0.813  0.00  0.00    +0.067 A 
ATOM     26  C   LIG    1       -7.389   0.874  -1.539  0.00  0.00    +0.125 A 
ATOM     27  F   LIG    1       -8.444   1.395  -0.900  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1       -7.444   0.705  -2.920  0.00  0.00    +0.038 A 
ATOM     29  C   LIG    1       -6.353   0.156  -3.595  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -5.212  -0.217  -2.882  0.00  0.00    +0.029 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 5