REMARK  Name = BDB061864
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.069  -1.201   0.285  0.00  0.00    -0.001 A 
ATOM      2  C   LIG    1       -0.686  -1.736   0.107  0.00  0.00    +0.008 A 
ATOM      3  C   LIG    1       -0.499  -3.103  -0.138  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        0.778  -3.638  -0.300  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        1.892  -2.800  -0.232  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        1.747  -1.426  -0.000  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1       -1.605  -3.949  -0.238  0.00  0.00    -0.322 N 
ATOM      8  H   LIG    1       -1.487  -4.936  -0.425  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1       -2.892  -3.516  -0.122  0.00  0.00    +0.250 A 
ATOM     10  O   LIG    1       -3.851  -4.270  -0.237  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1        0.452  -0.911   0.159  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1       -3.085  -2.079   0.158  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  17
ATOM     13  C   LIG    1       -3.857   3.414   0.141  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1       -3.166   2.205   0.518  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1       -2.429   2.188   1.644  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -1.961   0.938   1.697  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1       -2.373   0.167   0.590  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -3.161   1.017  -0.154  0.00  0.00    +0.116 A 
ENDBRANCH   1  17
BRANCH   6  19
ATOM     19  N   LIG    1        2.901  -0.617   0.005  0.00  0.00    -0.313 N 
ATOM     20  H   LIG    1        3.730  -1.120   0.317  0.00  0.00    +0.152 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.084   0.764  -0.238  0.00  0.00    +0.053 A 
ATOM     22  C   LIG    1        4.098   1.493   0.413  0.00  0.00    +0.110 A 
ATOM     23  C   LIG    1        4.195   2.855   0.157  0.00  0.00    +0.148 A 
ATOM     24 CL   LIG    1        5.389   3.867   0.877  0.00  0.00    -0.061 Cl
ATOM     25  N   LIG    1        3.378   3.536  -0.677  0.00  0.00    -0.242 NA
ATOM     26  C   LIG    1        2.412   2.825  -1.286  0.00  0.00    +0.114 A 
ATOM     27  C   LIG    1        2.229   1.464  -1.099  0.00  0.00    +0.044 A 
BRANCH  22  28
ATOM     28  C   LIG    1        5.005   0.852   1.311  0.00  0.00    +0.104 C 
ATOM     29  N   LIG    1        5.724   0.273   2.014  0.00  0.00    -0.191 NA
ENDBRANCH  22  28
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 4