REMARK  Name = BDB059830
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.183   0.766   2.277  0.00  0.00    -0.150 OA
ATOM      2  S   LIG    1        2.984   1.464   1.023  0.00  0.00    +0.076 S 
ATOM      3  O   LIG    1        3.591   2.752   0.771  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        3.510   0.382  -0.274  0.00  0.00    +0.152 A 
ATOM      5  C   LIG    1        4.030  -0.889  -0.009  0.00  0.00    +0.162 A 
ATOM      6  C   LIG    1        4.420  -1.696  -1.088  0.00  0.00    +0.085 A 
ATOM      7 CL   LIG    1        5.062  -3.282  -0.839  0.00  0.00    -0.080 Cl
ATOM      8  C   LIG    1        4.302  -1.239  -2.403  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1        3.797   0.035  -2.646  0.00  0.00    +0.021 A 
ATOM     10 BR   LIG    1        3.641   0.660  -4.422  0.00  0.00    -0.050 Br
ATOM     11  C   LIG    1        3.402   0.852  -1.591  0.00  0.00    +0.048 A 
BRANCH   5  12
ATOM     12  O   LIG    1        4.181  -1.401   1.253  0.00  0.00    -0.503 OA
ATOM     13  H   LIG    1        3.943  -0.748   1.947  0.00  0.00    +0.292 HD
ENDBRANCH   5  12
ENDBRANCH   2   4
BRANCH   2  14
ATOM     14  N   LIG    1        1.346   1.636   0.736  0.00  0.00    -0.213 N 
ATOM     15  H   LIG    1        1.074   2.566   0.423  0.00  0.00    +0.174 HD
BRANCH  14  16
ATOM     16  C   LIG    1        0.383   0.638   0.857  0.00  0.00    +0.085 A 
ATOM     17  C   LIG    1       -0.944   0.770   0.523  0.00  0.00    +0.133 A 
ATOM     18  N   LIG    1       -1.534  -0.436   0.785  0.00  0.00    -0.267 N 
ATOM     19  N   LIG    1       -0.671  -1.347   1.271  0.00  0.00    -0.177 NA
ATOM     20  C   LIG    1        0.490  -0.689   1.327  0.00  0.00    +0.158 A 
BRANCH  18  21
ATOM     21  C   LIG    1       -2.929  -0.803   0.603  0.00  0.00    +0.107 C 
ATOM     22  C   LIG    1       -3.456  -0.540  -0.819  0.00  0.00    +0.027 C 
ATOM     23  C   LIG    1       -4.488   0.571  -0.665  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -5.082   0.313   0.708  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1       -3.870  -0.047   1.555  0.00  0.00    +0.027 C 
ENDBRANCH  18  21
ENDBRANCH  14  16
ENDBRANCH   2  14
TORSDOF 5