REMARK  Name = BDB061595
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.199  -0.876  -0.330  0.00  0.00    +0.190 A 
ATOM      2  N   LIG    1       -1.176  -1.089  -1.220  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1       -2.443  -1.211  -0.756  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1       -2.741  -1.153   0.595  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1       -1.664  -0.916   1.434  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1       -0.393  -0.792   0.988  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.440  -1.427  -1.823  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -4.570  -0.600  -1.963  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -5.501  -0.818  -2.984  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -5.310  -1.860  -3.887  0.00  0.00    +0.041 A 
ATOM     11 CL   LIG    1       -6.454  -2.126  -5.144  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1       -4.192  -2.682  -3.781  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -3.263  -2.463  -2.759  0.00  0.00    +0.011 A 
ENDBRANCH   3   7
BRANCH   4  14
ATOM     14  C   LIG    1       -4.062  -1.358   1.094  0.00  0.00    +0.104 C 
ATOM     15  N   LIG    1       -5.136  -1.533   1.498  0.00  0.00    -0.191 NA
ENDBRANCH   4  14
BRANCH   1  16
ATOM     16  S   LIG    1        1.443  -0.737  -0.977  0.00  0.00    -0.081 S 
BRANCH  16  17
ATOM     17  C   LIG    1        2.282  -0.006   0.461  0.00  0.00    +0.112 C 
BRANCH  17  22
ATOM     18  C   LIG    1        7.848   1.231  -0.752  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        6.413   0.904  -0.463  0.00  0.00    -0.050 A 
ATOM     20  C   LIG    1        6.064  -0.336   0.084  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        4.731  -0.631   0.380  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        3.724   0.316   0.150  0.00  0.00    -0.037 A 
ATOM     23  C   LIG    1        4.076   1.559  -0.392  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        5.410   1.853  -0.688  0.00  0.00    +0.003 A 
ENDBRANCH  17  22
ENDBRANCH  16  17
ENDBRANCH   1  16
BRANCH   5  25
ATOM     25  S   LIG    1       -1.819  -0.784   3.210  0.00  0.00    -0.042 S 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.398   0.870   3.292  0.00  0.00    +0.141 A 
ATOM     27  S   LIG    1       -2.415   1.750   4.767  0.00  0.00    -0.069 S 
ATOM     28  C   LIG    1       -3.093   3.092   3.945  0.00  0.00    +0.067 A 
ATOM     29  C   LIG    1       -3.264   2.781   2.613  0.00  0.00    +0.120 A 
ATOM     30  N   LIG    1       -2.868   1.510   2.241  0.00  0.00    -0.241 NA
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 7