REMARK  Name = BDB055537
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.487  -0.078  -0.033  0.00  0.00    -0.267 N 
ATOM      2  C   LIG    1       -0.583   1.088   0.850  0.00  0.00    +0.160 C 
ATOM      3  C   LIG    1        0.265   0.786   2.094  0.00  0.00    +0.078 C 
ATOM      4  S   LIG    1       -0.418   0.733   3.632  0.00  0.00    -0.038 S 
ATOM      5  N   LIG    1        1.619   0.630   1.995  0.00  0.00    -0.310 N 
ATOM      6  H   LIG    1        2.107   0.640   2.886  0.00  0.00    +0.152 HD
ATOM      7  C   LIG    1        2.395   0.671   0.822  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        1.949   0.291  -0.453  0.00  0.00    +0.058 A 
ATOM      9  C   LIG    1        2.818   0.415  -1.554  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1        4.114   0.904  -1.394  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1        4.562   1.241  -0.123  0.00  0.00    +0.043 A 
ATOM     12 CL   LIG    1        6.167   1.820   0.093  0.00  0.00    -0.083 Cl
ATOM     13  C   LIG    1        3.718   1.115   0.981  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1        0.674  -0.426  -0.709  0.00  0.00    +0.250 C 
ATOM     15  O   LIG    1        0.698  -1.332  -1.542  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2  16
ATOM     16  C   LIG    1       -0.298   2.434   0.168  0.00  0.00    -0.021 A 
ATOM     17  C   LIG    1       -0.603   2.631  -1.192  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1       -0.371   3.860  -1.816  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        0.149   4.921  -1.085  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1        0.437   6.433  -1.850  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1        0.429   4.764   0.269  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        0.197   3.534   0.893  0.00  0.00    +0.007 A 
ENDBRANCH   2  16
BRANCH   1  23
ATOM     23  C   LIG    1       -1.660  -0.981  -0.132  0.00  0.00    +0.216 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -1.505  -2.220   0.753  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1       -2.154  -2.267   2.000  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -2.010  -3.371   2.846  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -1.216  -4.444   2.453  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1       -1.036  -5.802   3.493  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1       -0.568  -4.422   1.223  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -0.711  -3.316   0.379  0.00  0.00    +0.007 A 
ENDBRANCH  23  24
BRANCH  23  31
ATOM     31  C   LIG    1       -2.143  -1.205  -1.585  0.00  0.00    +0.332 C 
ATOM     32  O   LIG    1       -2.114  -0.337  -2.455  0.00  0.00    -0.248 OA
BRANCH  31  34
ATOM     33  C   LIG    1       -3.174  -2.681  -3.088  0.00  0.00    +0.280 C 
ATOM     34  O   LIG    1       -2.712  -2.432  -1.760  0.00  0.00    -0.466 OA
ENDBRANCH  31  34
ENDBRANCH  23  31
ENDBRANCH   1  23
TORSDOF 5