REMARK  Name = BDB030161
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.115  -0.010   0.195  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.002   0.802   0.327  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.088   1.822   0.286  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        1.006  -1.197  -0.109  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        4.878   0.288   0.551  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.586  -0.226   0.348  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        2.451   0.600   0.423  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        2.621   1.953   0.707  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        1.557   2.770   0.781  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        3.897   2.475   0.913  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        4.107   4.148   1.268  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        5.022   1.651   0.837  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        9.466  -1.607   0.350  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        8.036  -1.438   0.376  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        7.357  -0.257   0.495  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        6.022  -0.606   0.465  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        5.894  -1.971   0.332  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        7.119  -2.442   0.282  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -1.302   0.238  -0.251  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -1.159  -0.747  -0.531  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.903   1.128  -1.573  0.00  0.00    +0.047 S 
ATOM     22  O   LIG    1       -1.519   2.509  -1.358  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -1.503   0.424  -2.771  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.684   0.978  -1.369  0.00  0.00    +0.152 C 
ATOM     25  C   LIG    1       -4.160  -0.449  -1.657  0.00  0.00    +0.043 C 
ATOM     26  C   LIG    1       -5.507  -0.706  -0.990  0.00  0.00    +0.086 C 
ATOM     27  N   LIG    1       -5.409  -0.627   0.472  0.00  0.00    -0.294 NA
ATOM     28  C   LIG    1       -4.442   0.359   0.972  0.00  0.00    +0.086 C 
ATOM     29  C   LIG    1       -4.167   1.497  -0.009  0.00  0.00    +0.043 C 
BRANCH  27  30
ATOM     30  C   LIG    1       -6.740  -0.485   1.121  0.00  0.00    +0.198 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -7.851  -1.497   0.768  0.00  0.00    +0.402 C 
ATOM     32  F   LIG    1       -8.253  -1.369  -0.517  0.00  0.00    -0.169 F 
ATOM     33  F   LIG    1       -7.455  -2.774   0.957  0.00  0.00    -0.169 F 
ATOM     34  F   LIG    1       -8.938  -1.289   1.548  0.00  0.00    -0.169 F 
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 7