REMARK  Name = BDB000602
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.132  -2.382   1.582  0.00  0.00    -0.282 OA
ATOM      2  C   LIG    1        2.396  -1.772   0.843  0.00  0.00    +0.250 C 
ATOM      3  C   LIG    1        2.606  -0.433   0.294  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        1.508  -0.135  -0.512  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1        1.439   1.082  -1.165  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1        2.496   1.986  -0.985  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        3.596   1.667  -0.167  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1        0.592  -1.201  -0.527  0.00  0.00    -0.260 N 
ATOM      9  C   LIG    1        3.661   0.437   0.488  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        1.034  -2.241   0.276  0.00  0.00    +0.292 C 
ATOM     11  O   LIG    1        0.502  -3.304   0.520  0.00  0.00    -0.266 OA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1       -0.678  -1.208  -1.214  0.00  0.00    +0.149 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -1.760  -0.479  -0.449  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1       -2.314   0.710  -0.946  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1       -3.310   1.382  -0.232  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -3.760   0.868   0.981  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1       -4.985   1.699   1.858  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1       -3.228  -0.315   1.486  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -2.233  -0.987   0.773  0.00  0.00    +0.006 A 
ENDBRANCH  12  13
ENDBRANCH   8  12
TORSDOF 2