REMARK  Name = BDB055963
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.844   0.006   1.341  0.00  0.00    +0.163 A 
ATOM      2  S   LIG    1       -1.294   0.471   0.790  0.00  0.00    -0.062 S 
ATOM      3  C   LIG    1       -0.847  -1.190   0.558  0.00  0.00    +0.052 A 
ATOM      4  C   LIG    1       -1.944  -1.974   0.933  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1       -1.844  -3.370   0.842  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1       -0.660  -3.947   0.378  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        0.431  -3.188   0.002  0.00  0.00    +0.077 A 
ATOM      8  N   LIG    1        1.508  -3.845  -0.428  0.00  0.00    -0.235 NA
ATOM      9  C   LIG    1        2.558  -3.107  -0.796  0.00  0.00    +0.223 A 
ATOM     10  N   LIG    1        2.630  -1.774  -0.770  0.00  0.00    -0.220 NA
ATOM     11  C   LIG    1        1.550  -1.106  -0.326  0.00  0.00    +0.135 A 
ATOM     12  C   LIG    1        0.377  -1.784   0.082  0.00  0.00    +0.056 A 
ATOM     13  N   LIG    1       -3.061  -1.291   1.375  0.00  0.00    -0.234 NA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -3.820   1.008   1.735  0.00  0.00    +0.240 C 
ATOM     15  N   LIG    1       -3.644   2.289   1.707  0.00  0.00    -0.265 NA
ATOM     16  H   LIG    1       -2.703   2.498   1.358  0.00  0.00    +0.190 HD
BRANCH  14  18
ATOM     17  C   LIG    1       -6.011   1.358   2.565  0.00  0.00    +0.279 C 
ATOM     18  O   LIG    1       -4.986   0.450   2.157  0.00  0.00    -0.478 OA
ENDBRANCH  14  18
ENDBRANCH   1  14
BRANCH  11  19
ATOM     19  N   LIG    1        1.601   0.307  -0.288  0.00  0.00    -0.298 N 
ATOM     20  H   LIG    1        1.257   0.644   0.609  0.00  0.00    +0.154 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.588   1.183  -0.804  0.00  0.00    +0.051 A 
ATOM     22  C   LIG    1        2.806   2.440  -0.199  0.00  0.00    +0.063 A 
ATOM     23 CL   LIG    1        1.926   2.891   1.224  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1        3.735   3.347  -0.712  0.00  0.00    +0.041 A 
ATOM     25  C   LIG    1        4.450   3.015  -1.857  0.00  0.00    +0.042 A 
ATOM     26 CL   LIG    1        5.596   4.124  -2.501  0.00  0.00    -0.083 Cl
ATOM     27  C   LIG    1        4.237   1.795  -2.492  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1        3.305   0.891  -1.972  0.00  0.00    +0.026 A 
ENDBRANCH  19  21
ENDBRANCH  11  19
TORSDOF 4