REMARK  Name = BDB016816
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.681   0.748  -0.329  0.00  0.00    -0.252 N 
ATOM      2  C   LIG    1        0.261  -0.340  -0.784  0.00  0.00    +0.163 C 
ATOM      3  C   LIG    1        1.492   0.451  -1.013  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1        1.303   1.756  -0.698  0.00  0.00    +0.127 A 
ATOM      5  N   LIG    1        2.467   2.389  -0.950  0.00  0.00    -0.338 N 
ATOM      6  H   LIG    1        2.683   3.369  -0.824  0.00  0.00    +0.167 HD
ATOM      7  C   LIG    1        3.316   1.414  -1.439  0.00  0.00    +0.111 A 
ATOM      8  N   LIG    1        2.734   0.225  -1.508  0.00  0.00    -0.234 NA
ATOM      9  C   LIG    1       -0.015   2.012  -0.250  0.00  0.00    +0.270 C 
ATOM     10  O   LIG    1       -0.438   3.102   0.095  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  18
ATOM     11  C   LIG    1       -4.520  -2.419  -0.259  0.00  0.00    +0.049 C 
ATOM     12  C   LIG    1       -3.908  -1.069  -0.060  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1       -4.818   0.015   0.421  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1       -6.003  -0.225   0.632  0.00  0.00    -0.267 OA
ATOM     15  N   LIG    1       -4.224   1.261   0.596  0.00  0.00    -0.316 N 
ATOM     16  C   LIG    1       -5.036   2.375   1.063  0.00  0.00    +0.152 C 
ATOM     17  C   LIG    1       -2.878   1.490   0.350  0.00  0.00    +0.112 A 
ATOM     18  C   LIG    1       -2.039   0.529  -0.081  0.00  0.00    +0.054 A 
ATOM     19  C   LIG    1       -2.612  -0.795  -0.289  0.00  0.00    +0.033 A 
ENDBRANCH   1  18
BRANCH   2  20
ATOM     20  C   LIG    1        0.632  -1.374   0.264  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1        1.138  -2.619  -0.157  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        1.492  -3.602   0.770  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        1.347  -3.353   2.132  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1        1.780  -4.563   3.275  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1        0.857  -2.127   2.573  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        0.506  -1.141   1.646  0.00  0.00    +0.007 A 
ENDBRANCH   2  20
BRANCH   7  27
ATOM     27  C   LIG    1        4.781   1.676  -1.881  0.00  0.00    +0.055 C 
ATOM     28  C   LIG    1        5.859   0.747  -1.388  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1        5.781   2.149  -0.859  0.00  0.00    +0.012 C 
ENDBRANCH   7  27
TORSDOF 3