REMARK  Name = BDB061918
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.158  -0.270   0.844  0.00  0.00    +0.115 C 
ATOM      2  C   LIG    1       -1.146   0.636   0.139  0.00  0.00    -0.016 A 
ATOM      3  C   LIG    1       -2.436   0.222  -0.147  0.00  0.00    -0.004 A 
ATOM      4  S   LIG    1       -3.381   1.409  -0.905  0.00  0.00    -0.101 S 
ATOM      5  C   LIG    1       -2.097   2.538  -0.842  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.953  -1.147   0.161  0.00  0.00    +0.058 C 
ATOM      7  C   LIG    1       -2.010  -1.831   1.170  0.00  0.00    +0.087 C 
ATOM      8  C   LIG    1       -0.970   2.007  -0.252  0.00  0.00    +0.013 A 
ATOM      9  N   LIG    1       -0.598  -1.679   0.790  0.00  0.00    -0.305 NA
ATOM     10  H   LIG    1       -0.006  -2.218   1.419  0.00  0.00    +0.123 HD
ENDROOT
BRANCH   1  14
ATOM     11 CL   LIG    1        4.753   1.507   1.016  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1        3.474   0.710   0.186  0.00  0.00    +0.041 A 
ATOM     13  C   LIG    1        2.239   0.546   0.816  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        1.182  -0.099   0.151  0.00  0.00    -0.025 A 
ATOM     15  C   LIG    1        1.405  -0.575  -1.155  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        2.642  -0.408  -1.779  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        3.679   0.236  -1.108  0.00  0.00    +0.020 A 
ENDBRANCH   1  14
TORSDOF 1