REMARK  Name = BDB001862
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.273   2.397   1.040  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -1.494   1.159   0.717  0.00  0.00    -0.045 A 
ATOM      3  C   LIG    1       -0.118   1.101   0.945  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1        0.570  -0.051   0.597  0.00  0.00    +0.154 A 
ATOM      5  N   LIG    1       -0.021  -1.137   0.062  0.00  0.00    -0.233 NA
ATOM      6  C   LIG    1       -1.353  -1.072  -0.168  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -2.002  -2.277  -0.779  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1       -2.115   0.053   0.135  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   4   9
ATOM      9  N   LIG    1        1.935  -0.157   0.847  0.00  0.00    -0.218 NA
ATOM     10  C   LIG    1        2.728  -0.351  -0.153  0.00  0.00    +0.149 A 
ATOM     11  C   LIG    1        4.209  -0.543  -0.033  0.00  0.00    +0.171 A 
ATOM     12 CL   LIG    1        4.797  -1.203   1.429  0.00  0.00    -0.058 Cl
ATOM     13  N   LIG    1        5.048  -0.246  -0.976  0.00  0.00    -0.189 NA
ATOM     14  S   LIG    1        4.285   0.383  -2.320  0.00  0.00    +0.052 S 
ATOM     15  S   LIG    1        2.490  -0.441  -1.858  0.00  0.00    -0.010 S 
ENDBRANCH   4   9
TORSDOF 1