REMARK  Name = BDB053085
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.030  -0.914  -2.801  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.315  -0.248  -2.077  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -0.844  -0.558  -0.816  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1        0.019   0.484  -0.270  0.00  0.00    +0.192 C 
ATOM      5  C   LIG    1        0.029   1.513  -1.380  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1        0.677   2.736  -1.466  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        0.504   3.494  -2.628  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -0.304   3.030  -3.683  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -0.954   1.798  -3.591  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -0.770   1.067  -2.433  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -0.539   1.085   1.031  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        0.242   1.157   2.201  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -0.274   1.701   3.382  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -1.579   2.184   3.411  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -2.213   2.842   4.868  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -2.371   2.134   2.269  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -1.854   1.594   1.088  0.00  0.00    +0.010 A 
ENDBRANCH   4  11
BRANCH   3  18
ATOM     18  C   LIG    1       -1.110  -1.813  -0.139  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.357  -1.782   0.706  0.00  0.00    -0.027 A 
ATOM     20  C   LIG    1       -3.623  -1.757   0.112  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1       -4.742  -1.707   0.928  0.00  0.00    +0.111 A 
ATOM     22  N   LIG    1       -4.688  -1.679   2.276  0.00  0.00    -0.263 NA
ATOM     23  C   LIG    1       -3.458  -1.708   2.832  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1       -2.281  -1.764   2.101  0.00  0.00    +0.025 A 
ENDBRANCH  18  19
ENDBRANCH   3  18
BRANCH   4  25
ATOM     25  O   LIG    1        1.322  -0.057  -0.021  0.00  0.00    -0.347 OA
BRANCH  25  26
ATOM     26  C   LIG    1        2.039  -0.572  -1.138  0.00  0.00    +0.172 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.323  -1.193  -0.620  0.00  0.00    +0.017 C 
ATOM     28  C   LIG    1        3.869  -2.403  -1.358  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1        3.229  -2.580  -0.009  0.00  0.00    +0.012 C 
BRANCH  27  30
ATOM     30  C   LIG    1        4.280  -0.174  -0.038  0.00  0.00    +0.165 C 
BRANCH  30  31
ATOM     31  O   LIG    1        5.567  -0.724   0.216  0.00  0.00    -0.394 OA
ATOM     32  H   LIG    1        5.462  -1.371   0.932  0.00  0.00    +0.209 HD
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   4  25
TORSDOF 8