REMARK  Name = BDB059571
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.087   0.353  -2.070  0.00  0.00    -0.213 N 
ATOM      2  H   LIG    1        0.155  -0.427  -2.680  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1       -2.396  -1.153   0.432  0.00  0.00    +0.103 A 
ATOM      4  C   LIG    1       -1.334  -1.002  -0.466  0.00  0.00    +0.153 A 
ATOM      5  C   LIG    1       -1.144   0.223  -1.123  0.00  0.00    +0.092 A 
ATOM      6  C   LIG    1       -1.997   1.294  -0.858  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -3.031   1.145   0.066  0.00  0.00    +0.044 A 
ATOM      8 CL   LIG    1       -4.073   2.473   0.400  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -3.234  -0.069   0.716  0.00  0.00    +0.038 A 
BRANCH   3  11
ATOM     10  O   LIG    1       -2.917  -2.498   2.337  0.00  0.00    -0.245 OA
ATOM     11  C   LIG    1       -2.657  -2.410   1.152  0.00  0.00    +0.340 C 
BRANCH  11  12
ATOM     12  O   LIG    1       -2.688  -3.470   0.329  0.00  0.00    -0.477 OA
ATOM     13  H   LIG    1       -2.888  -4.231   0.912  0.00  0.00    +0.295 HD
ENDBRANCH  11  12
ENDBRANCH   3  11
BRANCH   4  14
ATOM     14  O   LIG    1       -0.454  -2.032  -0.665  0.00  0.00    -0.504 OA
ATOM     15  H   LIG    1        0.372  -1.670  -1.040  0.00  0.00    +0.292 HD
ENDBRANCH   4  14
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  S   LIG    1        1.151   1.469  -1.852  0.00  0.00    +0.076 S 
ATOM     17  O   LIG    1        0.561   2.787  -1.754  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1        2.161   1.181  -2.846  0.00  0.00    -0.150 OA
BRANCH  16  19
ATOM     19  C   LIG    1        1.832   1.064  -0.267  0.00  0.00    +0.152 A 
ATOM     20  C   LIG    1        2.323  -0.214  -0.001  0.00  0.00    +0.162 A 
ATOM     21  C   LIG    1        2.897  -0.483   1.248  0.00  0.00    +0.085 A 
ATOM     22 CL   LIG    1        3.513  -2.057   1.597  0.00  0.00    -0.080 Cl
ATOM     23  C   LIG    1        2.973   0.507   2.226  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1        2.471   1.777   1.951  0.00  0.00    +0.021 A 
ATOM     25 BR   LIG    1        2.567   3.126   3.271  0.00  0.00    -0.050 Br
ATOM     26  C   LIG    1        1.904   2.066   0.711  0.00  0.00    +0.048 A 
BRANCH  20  27
ATOM     27  O   LIG    1        2.211  -1.214  -0.934  0.00  0.00    -0.503 OA
ATOM     28  H   LIG    1        2.783  -1.953  -0.633  0.00  0.00    +0.292 HD
ENDBRANCH  20  27
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 7