REMARK  Name = BDB002156
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.380   1.170   2.190  0.00  0.00    -0.286 OA
ATOM      2  C   LIG    1        1.001   0.607   1.292  0.00  0.00    +0.209 C 
ATOM      3  C   LIG    1        0.286  -0.208   0.282  0.00  0.00    +0.061 C 
ATOM      4  C   LIG    1        0.961  -0.729  -0.749  0.00  0.00    +0.101 C 
ATOM      5 CL   LIG    1        0.205  -1.722  -1.963  0.00  0.00    -0.079 Cl
ATOM      6  C   LIG    1        2.415  -0.481  -0.945  0.00  0.00    +0.220 C 
ATOM      7  O   LIG    1        2.957  -0.818  -1.997  0.00  0.00    -0.284 OA
ATOM      8  C   LIG    1        3.202   0.199   0.165  0.00  0.00    +0.101 C 
ATOM      9  C   LIG    1        2.484   0.693   1.194  0.00  0.00    +0.113 C 
ATOM     10 CL   LIG    1        3.234   1.422   2.588  0.00  0.00    -0.078 Cl
ENDROOT
BRANCH   8  11
ATOM     11  N   LIG    1        4.615   0.260   0.018  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1        5.377   1.501   0.274  0.00  0.00    +0.105 C 
ATOM     13  C   LIG    1        6.557   1.644  -0.682  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1        7.532   0.476  -0.546  0.00  0.00    +0.003 C 
ATOM     15  C   LIG    1        6.824  -0.826  -0.173  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1        5.374  -0.823  -0.647  0.00  0.00    +0.105 C 
ENDBRANCH   8  11
BRANCH   3  17
ATOM     17  C   LIG    1       -1.113  -0.418   0.449  0.00  0.00    +0.046 A 
ATOM     18  S   LIG    1       -2.266   0.594  -0.324  0.00  0.00    -0.052 S 
ATOM     19  C   LIG    1       -3.572  -0.305   0.381  0.00  0.00    +0.161 A 
ATOM     20  N   LIG    1       -3.165  -1.298   1.145  0.00  0.00    -0.233 NA
ATOM     21  C   LIG    1       -1.789  -1.353   1.205  0.00  0.00    +0.129 A 
BRANCH  19  22
ATOM     22  N   LIG    1       -4.890  -0.031   0.153  0.00  0.00    -0.310 N 
ATOM     23  C   LIG    1       -5.895  -0.954   0.679  0.00  0.00    +0.107 C 
ATOM     24  C   LIG    1       -7.137  -0.937  -0.208  0.00  0.00    +0.019 C 
ATOM     25  C   LIG    1       -7.756   0.455  -0.312  0.00  0.00    +0.003 C 
ATOM     26  C   LIG    1       -6.749   1.570  -0.046  0.00  0.00    +0.019 C 
ATOM     27  C   LIG    1       -5.338   1.197  -0.497  0.00  0.00    +0.107 C 
ENDBRANCH  19  22
ENDBRANCH   3  17
TORSDOF 3