REMARK  Name = BDB018646
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.578   1.037   0.396  0.00  0.00    -0.268 N 
ATOM      2  C   LIG    1       -1.446   0.822  -0.551  0.00  0.00    +0.132 C 
ATOM      3  C   LIG    1       -0.971  -0.614  -0.282  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1       -0.333  -1.160  -1.553  0.00  0.00    +0.225 C 
ATOM      5  O   LIG    1       -0.956  -1.789  -2.405  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1        0.977  -0.825  -1.774  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1        1.347  -1.082  -2.682  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1        1.823  -0.272  -0.810  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1        1.380  -0.153   0.512  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1        2.239   0.379   1.481  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        3.521   0.798   1.123  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        3.951   0.668  -0.198  0.00  0.00    +0.043 A 
ATOM     13 CL   LIG    1        5.537   1.175  -0.631  0.00  0.00    -0.083 Cl
ATOM     14  C   LIG    1        3.109   0.128  -1.169  0.00  0.00    +0.043 A 
ATOM     15  C   LIG    1        0.021  -0.685   0.889  0.00  0.00    +0.054 C 
ATOM     16  C   LIG    1       -2.295  -1.309   0.054  0.00  0.00    +0.037 C 
ATOM     17  C   LIG    1       -3.066  -0.281   0.872  0.00  0.00    +0.117 C 
ENDROOT
BRANCH   1  19
ATOM     18  N   LIG    1       -3.850   3.174   0.606  0.00  0.00    -0.174 NA
ATOM     19  C   LIG    1       -3.261   2.183   0.508  0.00  0.00    +0.169 C 
ENDBRANCH   1  19
TORSDOF 1