REMARK  Name = BDB003028
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.151  -1.423   0.151  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        1.018  -0.321   0.013  0.00  0.00    +0.163 A 
ATOM      3  C   LIG    1        0.485   0.945  -0.243  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -0.899   1.119  -0.355  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -1.768   0.036  -0.200  0.00  0.00    -0.021 A 
ATOM      6  C   LIG    1       -1.233  -1.238   0.039  0.00  0.00    +0.057 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -0.065  -3.788   0.469  0.00  0.00    +0.277 C 
ATOM      8  O   LIG    1        0.754  -2.632   0.392  0.00  0.00    -0.491 OA
ENDBRANCH   1   8
BRANCH   5   9
ATOM      9  C   LIG    1       -3.215   0.257  -0.343  0.00  0.00    +0.008 C 
ATOM     10  C   LIG    1       -4.121  -0.274   0.495  0.00  0.00    +0.008 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -5.571  -0.075   0.378  0.00  0.00    -0.022 A 
ATOM     12  C   LIG    1       -6.427  -1.117   0.734  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1       -7.804  -0.939   0.656  0.00  0.00    +0.086 A 
ATOM     14  N   LIG    1       -8.324   0.241   0.254  0.00  0.00    -0.356 N 
ATOM     15  C   LIG    1       -9.786   0.404   0.169  0.00  0.00    +0.148 C 
ATOM     16  C   LIG    1       -7.516   1.270  -0.088  0.00  0.00    +0.086 A 
ATOM     17  C   LIG    1       -6.133   1.135  -0.026  0.00  0.00    +0.025 A 
ENDBRANCH  10  11
ENDBRANCH   5   9
BRANCH   2  18
ATOM     18  O   LIG    1        2.356  -0.592   0.144  0.00  0.00    -0.479 OA
BRANCH  18  19
ATOM     19  C   LIG    1        3.279   0.472  -0.009  0.00  0.00    +0.325 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.729  -0.003   0.169  0.00  0.00    +0.255 C 
ATOM     21  N   LIG    1        5.638   1.032  -0.035  0.00  0.00    -0.283 N 
ATOM     22  H   LIG    1        5.253   1.938  -0.270  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1        5.017  -1.159   0.459  0.00  0.00    -0.272 OA
BRANCH  21  24
ATOM     24  C   LIG    1        7.046   0.965   0.046  0.00  0.00    +0.035 A 
ATOM     25  C   LIG    1        7.757   2.146  -0.202  0.00  0.00    +0.044 A 
ATOM     26  C   LIG    1        9.157   2.168  -0.142  0.00  0.00    +0.061 A 
ATOM     27 CL   LIG    1        9.947   3.671  -0.463  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1        9.861   1.002   0.168  0.00  0.00    +0.059 A 
ATOM     29 CL   LIG    1       11.584   0.953   0.260  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1        9.158  -0.177   0.416  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1        7.759  -0.195   0.355  0.00  0.00    +0.025 A 
ENDBRANCH  21  24
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 7