REMARK  Name = BDB060416
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.796   2.019  -0.943  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1       -1.722   0.716  -0.422  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1       -0.446   0.196  -0.144  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1        0.709   0.951  -0.377  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        0.506   2.229  -0.890  0.00  0.00    +0.121 A 
ATOM      6  N   LIG    1       -0.704   2.768  -1.175  0.00  0.00    -0.240 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -2.911  -0.106  -0.168  0.00  0.00    -0.015 A 
ATOM      8  C   LIG    1       -3.607  -0.003   1.048  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -4.740  -0.785   1.290  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -5.184  -1.679   0.318  0.00  0.00    +0.041 A 
ATOM     11 CL   LIG    1       -6.577  -2.641   0.616  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1       -4.504  -1.799  -0.892  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -3.372  -1.016  -1.133  0.00  0.00    +0.010 A 
ENDBRANCH   2   7
BRANCH   4  14
ATOM     14  C   LIG    1        2.053   0.426  -0.096  0.00  0.00    -0.016 A 
ATOM     15  C   LIG    1        2.360  -0.150   1.149  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        3.639  -0.651   1.420  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1        4.639  -0.587   0.445  0.00  0.00    +0.059 A 
ATOM     18  C   LIG    1        4.349  -0.018  -0.799  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1        3.070   0.482  -1.064  0.00  0.00    +0.009 A 
BRANCH  17  20
ATOM     20  C   LIG    1        6.008  -1.105   0.682  0.00  0.00    +0.337 C 
ATOM     21  O   LIG    1        6.926  -1.084  -0.116  0.00  0.00    -0.245 OA
BRANCH  20  22
ATOM     22  O   LIG    1        6.163  -1.626   1.912  0.00  0.00    -0.477 OA
ATOM     23  H   LIG    1        7.098  -1.921   1.925  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH   4  14
BRANCH   1  24
ATOM     24  N   LIG    1       -3.030   2.610  -1.258  0.00  0.00    -0.343 N 
ATOM     25  H   LIG    1       -3.611   2.632  -0.426  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1       -3.508   2.031  -1.942  0.00  0.00    +0.144 HD
ENDBRANCH   1  24
TORSDOF 5