REMARK  Name = BDB055520
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.067  -0.480  -0.036  0.00  0.00    -0.267 N 
ATOM      2  C   LIG    1        1.208  -0.244   0.854  0.00  0.00    +0.160 C 
ATOM      3  C   LIG    1        0.669   0.471   2.102  0.00  0.00    +0.078 C 
ATOM      4  S   LIG    1        0.810  -0.210   3.634  0.00  0.00    -0.038 S 
ATOM      5  N   LIG    1        0.130   1.724   2.010  0.00  0.00    -0.310 N 
ATOM      6  H   LIG    1       -0.005   2.187   2.905  0.00  0.00    +0.152 HD
ATOM      7  C   LIG    1       -0.053   2.487   0.844  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -0.282   1.962  -0.438  0.00  0.00    +0.058 A 
ATOM      9  C   LIG    1       -0.411   2.839  -1.534  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1       -0.323   4.218  -1.359  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1       -0.137   4.725  -0.083  0.00  0.00    +0.125 A 
ATOM     12  F   LIG    1       -0.072   6.050   0.099  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -0.015   3.879   1.014  0.00  0.00    +0.062 A 
ATOM     14  C   LIG    1       -0.597   0.535  -0.708  0.00  0.00    +0.250 C 
ATOM     15  O   LIG    1       -1.466   0.302  -1.548  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2  16
ATOM     16  C   LIG    1        2.417   0.423   0.183  0.00  0.00    -0.021 A 
ATOM     17  C   LIG    1        2.701   0.197  -1.178  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        3.815   0.776  -1.793  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        4.678   1.574  -1.051  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1        6.048   2.289  -1.804  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1        4.441   1.787   0.303  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        3.326   1.207   0.918  0.00  0.00    +0.007 A 
ENDBRANCH   2  16
BRANCH   1  23
ATOM     23  C   LIG    1       -0.459  -1.863  -0.148  0.00  0.00    +0.216 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -1.694  -2.079   0.729  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1       -1.558  -2.723   1.973  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -2.661  -2.909   2.811  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -3.915  -2.455   2.416  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1       -5.272  -2.682   3.448  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1       -4.075  -1.819   1.189  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -2.970  -1.632   0.352  0.00  0.00    +0.007 A 
ENDBRANCH  23  24
BRANCH  23  31
ATOM     31  C   LIG    1       -0.526  -2.381  -1.605  0.00  0.00    +0.332 C 
ATOM     32  O   LIG    1        0.302  -2.097  -2.468  0.00  0.00    -0.248 OA
BRANCH  31  34
ATOM     33  C   LIG    1       -1.636  -3.780  -3.124  0.00  0.00    +0.280 C 
ATOM     34  O   LIG    1       -1.537  -3.277  -1.792  0.00  0.00    -0.466 OA
ENDBRANCH  31  34
ENDBRANCH  23  31
ENDBRANCH   1  23
TORSDOF 5