REMARK  Name = BDB050083
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.799  -1.032  -0.516  0.00  0.00    +0.140 A 
ATOM      2  N   LIG    1        0.416  -0.589  -0.339  0.00  0.00    -0.150 NA
ATOM      3  N   LIG    1        1.197  -0.605  -1.461  0.00  0.00    -0.211 N 
ATOM      4  C   LIG    1        0.831  -1.051  -2.720  0.00  0.00    +0.155 A 
ATOM      5  N   LIG    1        1.814  -0.945  -3.586  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        2.853  -0.412  -2.870  0.00  0.00    +0.141 A 
ATOM      7  C   LIG    1       -0.482  -1.541  -2.876  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        2.511  -0.173  -1.549  0.00  0.00    +0.093 A 
ATOM      9  C   LIG    1       -1.306  -1.548  -1.823  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        3.307   0.384  -0.453  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        2.751   1.273   0.477  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        3.534   1.803   1.503  0.00  0.00    +0.042 A 
ATOM     13 CL   LIG    1        2.832   2.896   2.634  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1        4.879   1.463   1.617  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        5.446   0.585   0.696  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        4.665   0.051  -0.333  0.00  0.00    +0.010 A 
ENDBRANCH   8  10
BRANCH   1  17
ATOM     17  N   LIG    1       -1.610  -1.019   0.594  0.00  0.00    -0.323 N 
ATOM     18  H   LIG    1       -1.071  -0.683   1.397  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  CA  LIG    1       -2.915  -0.343   0.594  0.00  0.00    +0.097 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -5.185  -0.441   1.769  0.00  0.00    +0.006 C 
ATOM     21  C   LIG    1       -3.767  -0.988   1.702  0.00  0.00    +0.021 C 
ENDBRANCH  19  21
BRANCH  19  22
ATOM     22  C   LIG    1       -2.689   1.172   0.799  0.00  0.00    +0.178 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -2.062   1.412   2.059  0.00  0.00    -0.393 OA
ATOM     24  H   LIG    1       -1.811   2.352   2.081  0.00  0.00    +0.209 HD
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 6