REMARK  Name = BDB059834
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.204   2.186   0.348  0.00  0.00    -0.198 N 
ATOM      2  H   LIG    1        2.382   2.729   1.189  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -1.039   1.154   0.924  0.00  0.00    +0.112 A 
ATOM      4  N   LIG    1       -0.878   0.550  -0.305  0.00  0.00    -0.329 N 
ATOM      5  C   LIG    1        0.389   0.858  -0.740  0.00  0.00    +0.132 A 
ATOM      6  C   LIG    1        0.953   1.620   0.248  0.00  0.00    +0.156 A 
ATOM      7  N   LIG    1        0.064   1.798   1.265  0.00  0.00    -0.216 NA
BRANCH   4   8
ATOM      8  C   LIG    1       -1.792  -0.282  -1.062  0.00  0.00    +0.088 C 
ATOM      9  C   LIG    1       -3.145   0.354  -1.421  0.00  0.00    +0.025 C 
ATOM     10  C   LIG    1       -4.202  -0.695  -1.077  0.00  0.00    +0.002 C 
ATOM     11  C   LIG    1       -3.447  -2.014  -1.033  0.00  0.00    +0.002 C 
ATOM     12  C   LIG    1       -2.108  -1.636  -0.418  0.00  0.00    +0.025 C 
ENDBRANCH   4   8
BRANCH   3  14
ATOM     13  C   LIG    1       -2.885   2.480   1.945  0.00  0.00    +0.012 C 
ATOM     14  C   LIG    1       -2.262   1.102   1.781  0.00  0.00    +0.071 C 
ENDBRANCH   3  14
ENDBRANCH   1   6
BRANCH   1  15
ATOM     15  S   LIG    1        3.542   1.739  -0.528  0.00  0.00    +0.077 S 
ATOM     16  O   LIG    1        3.255   1.839  -1.946  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1        4.685   2.410   0.052  0.00  0.00    -0.150 OA
BRANCH  15  18
ATOM     18  C   LIG    1        3.716   0.015  -0.155  0.00  0.00    +0.152 A 
ATOM     19  C   LIG    1        3.502  -0.974  -1.122  0.00  0.00    +0.162 A 
ATOM     20  C   LIG    1        3.634  -2.320  -0.749  0.00  0.00    +0.085 A 
ATOM     21 CL   LIG    1        3.357  -3.597  -1.881  0.00  0.00    -0.080 Cl
ATOM     22  C   LIG    1        3.992  -2.670   0.555  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1        4.220  -1.671   1.498  0.00  0.00    +0.021 A 
ATOM     24 BR   LIG    1        4.707  -2.140   3.262  0.00  0.00    -0.050 Br
ATOM     25  C   LIG    1        4.087  -0.329   1.153  0.00  0.00    +0.048 A 
BRANCH  19  26
ATOM     26  O   LIG    1        3.156  -0.705  -2.420  0.00  0.00    -0.503 OA
ATOM     27  H   LIG    1        3.193   0.259  -2.609  0.00  0.00    +0.292 HD
ENDBRANCH  19  26
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 6