REMARK  Name = BDB011214
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.230  -0.962   0.090  0.00  0.00    +0.057 A 
ATOM      2  N   LIG    1        1.414   0.173   0.114  0.00  0.00    -0.338 N 
ATOM      3  C   LIG    1        0.133  -0.266   0.285  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1       -1.214   0.347   0.404  0.00  0.00    +0.159 C 
ATOM      5  N   LIG    1       -2.029  -0.893   0.567  0.00  0.00    -0.254 N 
ATOM      6  C   LIG    1       -1.239  -2.067   0.635  0.00  0.00    +0.253 C 
ATOM      7  O   LIG    1       -1.556  -3.220   0.870  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        0.111  -1.621   0.414  0.00  0.00    +0.061 A 
ATOM      9  C   LIG    1        1.419  -2.082   0.297  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -3.437  -0.851   0.780  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1       -4.327  -1.813   0.252  0.00  0.00    -0.029 A 
ATOM     12  C   LIG    1       -3.923  -2.920  -0.686  0.00  0.00    +0.045 C 
ATOM     13  C   LIG    1       -5.702  -1.728   0.560  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1       -6.207  -0.683   1.328  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -5.340   0.291   1.797  0.00  0.00    +0.043 A 
ATOM     16 CL   LIG    1       -5.950   1.601   2.734  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1       -3.973   0.213   1.527  0.00  0.00    +0.043 A 
ENDBRANCH   5  10
BRANCH   4  18
ATOM     18  C   LIG    1       -1.623   1.166  -0.807  0.00  0.00    -0.021 A 
ATOM     19  C   LIG    1       -1.671   0.603  -2.095  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -2.047   1.374  -3.198  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -2.381   2.714  -3.024  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1       -2.841   3.665  -4.381  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1       -2.344   3.290  -1.756  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -1.968   2.520  -0.652  0.00  0.00    +0.007 A 
ENDBRANCH   4  18
BRANCH   1  26
ATOM     25  C   LIG    1        4.604  -0.963   0.928  0.00  0.00    +0.227 A 
ATOM     26  C   LIG    1        3.677  -0.972  -0.105  0.00  0.00    +0.078 A 
ATOM     27  C   LIG    1        4.228  -1.065  -1.369  0.00  0.00    +0.127 A 
ATOM     28  N   LIG    1        5.554  -1.100  -1.617  0.00  0.00    -0.243 NA
ATOM     29  C   LIG    1        6.346  -1.063  -0.536  0.00  0.00    +0.225 A 
ATOM     30  N   LIG    1        5.941  -0.994   0.740  0.00  0.00    -0.201 NA
BRANCH  25  32
ATOM     31  C   LIG    1        5.127  -0.966   3.218  0.00  0.00    +0.279 C 
ATOM     32  O   LIG    1        4.115  -0.887   2.221  0.00  0.00    -0.479 OA
ENDBRANCH  25  32
ENDBRANCH   1  26
BRANCH   2  33
ATOM     33  C   LIG    1        1.788   1.581  -0.018  0.00  0.00    +0.081 C 
ATOM     34  C   LIG    1        2.821   2.054   1.004  0.00  0.00    +0.030 C 
ATOM     35  C   LIG    1        2.188   1.949  -1.446  0.00  0.00    +0.030 C 
ENDBRANCH   2  33
TORSDOF 5