REMARK  Name = BDB004462
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.132  -0.661   0.712  0.00  0.00    -0.257 N 
ATOM      2  C   LIG    1       -0.816   0.031  -0.147  0.00  0.00    +0.191 C 
ATOM      3  C   LIG    1       -1.811  -1.049  -0.476  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1       -1.440  -2.231   0.167  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -2.154  -3.412   0.065  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -3.298  -3.401  -0.730  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -3.688  -2.225  -1.395  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -2.942  -1.044  -1.272  0.00  0.00    +0.050 A 
ATOM      9 CL   LIG    1       -3.462   0.356  -2.122  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1       -0.210  -1.981   0.922  0.00  0.00    +0.250 C 
ATOM     11  O   LIG    1        0.367  -2.812   1.595  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2  12
ATOM     12  C   LIG    1       -1.429   1.255   0.527  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -1.362   2.527  -0.071  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -1.923   3.646   0.550  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -2.559   3.510   1.780  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -3.248   4.887   2.546  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -2.640   2.264   2.395  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -2.080   1.144   1.773  0.00  0.00    +0.010 A 
ENDBRANCH   2  12
BRANCH   2  19
ATOM     19  O   LIG    1       -0.127   0.358  -1.337  0.00  0.00    -0.364 OA
ATOM     20  H   LIG    1        0.618  -0.263  -1.367  0.00  0.00    +0.213 HD
ENDBRANCH   2  19
BRANCH   1  21
ATOM     21  C   LIG    1        1.282  -0.026   1.333  0.00  0.00    +0.146 C 
BRANCH  21  25
ATOM     22  C   LIG    1        4.705   0.001  -1.302  0.00  0.00    +0.052 A 
ATOM     23  C   LIG    1        3.972   1.173  -1.092  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1        2.869   1.167  -0.235  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        2.487  -0.010   0.424  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        3.224  -1.183   0.204  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1        4.328  -1.177  -0.652  0.00  0.00    +0.019 A 
BRANCH  22  29
ATOM     28  N   LIG    1        6.752   0.014  -2.896  0.00  0.00    -0.191 NA
ATOM     29  C   LIG    1        5.837   0.008  -2.182  0.00  0.00    +0.099 C 
ENDBRANCH  22  29
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 5