REMARK  Name = BDB055519
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.622  -0.003   0.014  0.00  0.00    -0.267 N 
ATOM      2  C   LIG    1       -0.272   1.119  -0.865  0.00  0.00    +0.160 C 
ATOM      3  C   LIG    1        0.400   0.537  -2.120  0.00  0.00    +0.078 C 
ATOM      4  S   LIG    1       -0.238   0.788  -3.657  0.00  0.00    -0.038 S 
ATOM      5  N   LIG    1        1.592  -0.125  -2.028  0.00  0.00    -0.310 N 
ATOM      6  H   LIG    1        2.047  -0.287  -2.922  0.00  0.00    +0.152 HD
ATOM      7  C   LIG    1        2.327  -0.392  -0.861  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1        1.775  -0.587   0.414  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1        2.625  -0.807   1.513  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        4.005  -0.841   1.342  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        4.556  -0.688   0.075  0.00  0.00    +0.022 A 
ATOM     12 CL   LIG    1        5.032  -1.103   2.695  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1        3.719  -0.478  -1.023  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        0.326  -0.777   0.668  0.00  0.00    +0.250 C 
ATOM     15  O   LIG    1        0.012  -1.643   1.484  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2  16
ATOM     16  C   LIG    1        0.504   2.255  -0.179  0.00  0.00    -0.021 A 
ATOM     17  C   LIG    1        0.325   2.530   1.190  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        1.008   3.576   1.816  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        1.866   4.382   1.077  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1        2.708   5.670   1.844  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1        2.037   4.156  -0.285  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        1.353   3.107  -0.909  0.00  0.00    +0.007 A 
ENDBRANCH   2  16
BRANCH   1  23
ATOM     23  C   LIG    1       -2.040  -0.448   0.060  0.00  0.00    +0.216 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.311  -1.622  -0.879  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1       -2.892  -1.393  -2.139  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -3.127  -2.450  -3.024  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -2.788  -3.749  -2.657  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1       -3.073  -5.048  -3.747  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1       -2.223  -4.000  -1.411  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -1.988  -2.943  -0.527  0.00  0.00    +0.007 A 
ENDBRANCH  23  24
BRANCH  23  31
ATOM     31  C   LIG    1       -2.684  -0.601   1.464  0.00  0.00    +0.332 C 
ATOM     32  O   LIG    1       -3.706  -1.240   1.698  0.00  0.00    -0.248 OA
BRANCH  31  34
ATOM     33  C   LIG    1       -2.606   0.093   3.703  0.00  0.00    +0.280 C 
ATOM     34  O   LIG    1       -2.063   0.196   2.386  0.00  0.00    -0.466 OA
ENDBRANCH  31  34
ENDBRANCH  23  31
ENDBRANCH   1  23
TORSDOF 5