REMARK  Name = BDB059555
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.130   0.290   0.774  0.00  0.00    -0.216 N 
ATOM      2  H   LIG    1        0.204   1.160   1.305  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1        3.774   0.020   0.023  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1        2.526   0.574   0.337  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.423  -0.264   0.502  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1        1.546  -1.641   0.324  0.00  0.00    +0.044 A 
ATOM      7  C   LIG    1        2.789  -2.185   0.012  0.00  0.00    +0.044 A 
ATOM      8 CL   LIG    1        2.949  -3.887  -0.191  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        3.906  -1.365  -0.136  0.00  0.00    +0.035 A 
BRANCH   3  11
ATOM     10  O   LIG    1        6.091   0.459  -0.450  0.00  0.00    -0.245 OA
ATOM     11  C   LIG    1        4.981   0.860  -0.155  0.00  0.00    +0.337 C 
BRANCH  11  12
ATOM     12  O   LIG    1        4.740   2.165   0.057  0.00  0.00    -0.477 OA
ATOM     13  H   LIG    1        5.607   2.596  -0.104  0.00  0.00    +0.295 HD
ENDBRANCH  11  12
ENDBRANCH   3  11
ENDBRANCH   1   5
BRANCH   1  14
ATOM     14  S   LIG    1       -0.771   0.670  -0.629  0.00  0.00    +0.076 S 
ATOM     15  O   LIG    1       -0.542   2.088  -0.833  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1       -0.525  -0.285  -1.686  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -2.442   0.469  -0.073  0.00  0.00    +0.151 A 
ATOM     18  C   LIG    1       -2.917  -0.775   0.347  0.00  0.00    +0.143 A 
ATOM     19  C   LIG    1       -4.244  -0.910   0.764  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1       -5.093   0.200   0.759  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1       -4.614   1.438   0.336  0.00  0.00    +0.020 A 
ATOM     22 BR   LIG    1       -5.768   2.935   0.329  0.00  0.00    -0.050 Br
ATOM     23  C   LIG    1       -3.293   1.582  -0.083  0.00  0.00    +0.047 A 
BRANCH  18  24
ATOM     24  O   LIG    1       -2.103  -1.867   0.367  0.00  0.00    -0.505 OA
ATOM     25  H   LIG    1       -2.626  -2.667   0.545  0.00  0.00    +0.292 HD
ENDBRANCH  18  24
ENDBRANCH  14  17
ENDBRANCH   1  14
TORSDOF 6