REMARK  Name = BDB036432
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.249  -0.514  -0.134  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.589  -1.821  -0.437  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.590  -2.431  -0.115  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.488  -2.368  -1.238  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -0.552  -1.355  -1.452  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1        0.593  -1.599  -2.203  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1        0.768  -2.903  -2.706  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -0.186  -3.913  -2.477  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.337  -3.648  -1.736  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.015  -0.098  -0.787  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -4.775   4.136   1.336  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -4.333   3.014   1.107  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -4.533   2.410  -0.108  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -4.983   2.987  -0.807  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -3.879   1.301  -0.596  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -3.887   1.061  -1.802  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -3.189   0.425   0.463  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -2.529   1.325   1.504  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -3.583   2.214   2.146  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  C   LIG    1        1.620  -0.530  -2.455  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.521  -0.407  -1.332  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1        3.066  -1.220  -1.077  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        2.507   0.690  -0.499  0.00  0.00    +0.246 C 
ATOM     24  O   LIG    1        1.779   1.661  -0.650  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        3.467   0.629   0.626  0.00  0.00    +0.055 A 
ATOM     26  C   LIG    1        3.060   0.803   1.953  0.00  0.00    +0.053 A 
ATOM     27 CL   LIG    1        1.409   1.024   2.410  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1        4.012   0.755   2.977  0.00  0.00    +0.021 A 
ATOM     29  C   LIG    1        5.360   0.538   2.680  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        5.765   0.368   1.358  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        4.823   0.414   0.330  0.00  0.00    +0.014 A 
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 4