REMARK  Name = BDB057391
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.458  -0.127  -1.564  0.00  0.00    -0.217 N 
ATOM      2  C   LIG    1       -1.712  -0.262  -2.935  0.00  0.00    +0.150 C 
ATOM      3  S   LIG    1       -3.137   0.040  -3.778  0.00  0.00    -0.018 S 
ATOM      4  N   LIG    1       -0.654  -0.644  -3.719  0.00  0.00    -0.263 N 
ATOM      5  H   LIG    1       -0.839  -0.753  -4.709  0.00  0.00    +0.157 HD
ATOM      6  C   LIG    1        0.660  -0.740  -3.373  0.00  0.00    +0.255 C 
ATOM      7  O   LIG    1        1.510  -1.006  -4.214  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        0.951  -0.459  -1.952  0.00  0.00    +0.100 C 
ATOM      9  C   LIG    1        2.262  -0.374  -1.636  0.00  0.00    +0.018 C 
ATOM     10  C   LIG    1       -0.179  -0.290  -0.996  0.00  0.00    +0.262 C 
ATOM     11  O   LIG    1        0.020  -0.350   0.218  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  17
ATOM     12  C   LIG    1       -5.727   0.836   2.215  0.00  0.00    +0.045 C 
ATOM     13  C   LIG    1       -4.608   0.601   1.241  0.00  0.00    -0.032 A 
ATOM     14  C   LIG    1       -3.445   1.383   1.243  0.00  0.00    +0.046 A 
ATOM     15 CL   LIG    1       -3.231   2.677   2.369  0.00  0.00    -0.083 Cl
ATOM     16  C   LIG    1       -2.417   1.141   0.325  0.00  0.00    +0.044 A 
ATOM     17  C   LIG    1       -2.532   0.118  -0.628  0.00  0.00    +0.045 A 
ATOM     18  C   LIG    1       -3.686  -0.676  -0.616  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1       -4.713  -0.435   0.303  0.00  0.00    +0.006 A 
ENDBRANCH   1  17
BRANCH   9  20
ATOM     20  C   LIG    1        2.878  -0.071  -0.357  0.00  0.00    +0.004 C 
ATOM     21  C   LIG    1        4.210  -0.033  -0.191  0.00  0.00    +0.046 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.789   0.277   1.072  0.00  0.00    +0.128 A 
ATOM     23  O   LIG    1        4.066   0.583   2.205  0.00  0.00    -0.464 OA
ATOM     24  C   LIG    1        4.933   0.822   3.218  0.00  0.00    +0.195 A 
ATOM     25  C   LIG    1        6.226   0.684   2.783  0.00  0.00    +0.042 A 
ATOM     26  C   LIG    1        6.136   0.336   1.415  0.00  0.00    +0.049 A 
ENDBRANCH  21  22
ENDBRANCH   9  20
TORSDOF 3