REMARK  Name = BDB050203
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        4.168  -2.224  -1.804  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        3.090  -1.711  -1.500  0.00  0.00    +0.220 C 
ATOM      3  N   LIG    1        2.926  -0.518  -0.790  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1        1.675  -0.247  -0.074  0.00  0.00    +0.118 C 
ATOM      5  C   LIG    1        0.388  -0.809  -0.718  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1        0.643  -2.287  -1.042  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1       -0.547  -2.997  -1.684  0.00  0.00    +0.075 C 
ATOM      8  S   LIG    1       -1.979  -3.053  -0.588  0.00  0.00    -0.139 S 
ATOM      9  C   LIG    1       -2.173  -1.247  -0.231  0.00  0.00    +0.127 C 
ATOM     10  C   LIG    1       -3.351  -1.063   0.725  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1       -4.374  -0.381   0.054  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -5.579  -0.044   0.640  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1       -5.774  -0.415   1.967  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1       -4.774  -1.112   2.663  0.00  0.00    +0.016 A 
ATOM     15  N   LIG    1       -4.008  -0.108  -1.252  0.00  0.00    -0.284 N 
ATOM     16  H   LIG    1       -4.577   0.369  -1.936  0.00  0.00    +0.155 HD
ATOM     17  C   LIG    1       -3.559  -1.443   2.045  0.00  0.00    +0.025 A 
ATOM     18 BR   LIG    1       -2.295  -2.415   3.062  0.00  0.00    -0.050 Br
ATOM     19  C   LIG    1       -2.732  -0.569  -1.528  0.00  0.00    +0.238 C 
ATOM     20  O   LIG    1       -2.169  -0.435  -2.605  0.00  0.00    -0.274 OA
ATOM     21  C   LIG    1       -0.837  -0.581   0.233  0.00  0.00    +0.053 C 
ATOM     22  C   LIG    1        1.824  -2.366  -2.005  0.00  0.00    +0.101 C 
ENDROOT
BRANCH  21  23
ATOM     23  C   LIG    1       -1.015   0.904   0.591  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1       -1.098   1.906  -0.390  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -1.268   3.246  -0.032  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -1.353   3.599   1.311  0.00  0.00    +0.018 A 
ATOM     27 BR   LIG    1       -1.586   5.410   1.795  0.00  0.00    -0.050 Br
ATOM     28  C   LIG    1       -1.265   2.625   2.300  0.00  0.00    +0.015 A 
ATOM     29  C   LIG    1       -1.094   1.286   1.942  0.00  0.00    +0.005 A 
ENDBRANCH  21  23
BRANCH   3  30
ATOM     30  C   LIG    1        4.064   0.325  -0.488  0.00  0.00    +0.036 A 
ATOM     31  C   LIG    1        4.078   1.171   0.635  0.00  0.00    +0.023 A 
ATOM     32  C   LIG    1        5.170   2.005   0.909  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1        6.270   2.017   0.060  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        6.277   1.197  -1.062  0.00  0.00    +0.002 A 
ATOM     35  C   LIG    1        5.184   0.364  -1.333  0.00  0.00    +0.023 A 
ENDBRANCH   3  30
TORSDOF 2