REMARK  Name = BDB032298
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.671   0.618  -0.102  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1       -0.915   0.095   0.940  0.00  0.00    +0.118 A 
ATOM      3  N   LIG    1        0.426  -0.081   0.897  0.00  0.00    -0.240 NA
ATOM      4  C   LIG    1        1.065   0.272  -0.232  0.00  0.00    +0.119 A 
ATOM      5  C   LIG    1        0.393   0.786  -1.335  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1       -0.989   0.964  -1.268  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        2.445   0.054  -0.235  0.00  0.00    -0.329 N 
ATOM      8  H   LIG    1        2.606  -0.349   0.688  0.00  0.00    +0.147 HD
BRANCH   7   9
ATOM      9  C   LIG    1        3.235   1.269  -0.428  0.00  0.00    +0.106 C 
BRANCH   9  10
ATOM     10  C   LIG    1        4.744   0.978  -0.378  0.00  0.00    +0.008 C 
ATOM     11  C   LIG    1        5.189  -0.014  -1.462  0.00  0.00    +0.020 C 
ATOM     12  C   LIG    1        6.693  -0.287  -1.375  0.00  0.00    +0.084 C 
ATOM     13  N   LIG    1        7.152  -0.719  -0.049  0.00  0.00    -0.305 NA
ATOM     14  C   LIG    1        6.761  -2.097   0.247  0.00  0.00    +0.104 C 
ATOM     15  C   LIG    1        6.723   0.215   0.998  0.00  0.00    +0.084 C 
ATOM     16  C   LIG    1        5.218   0.504   1.003  0.00  0.00    +0.020 C 
ENDBRANCH   9  10
ENDBRANCH   7   9
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  C   LIG    1       -3.158   0.784   0.031  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -3.786  -0.533   0.116  0.00  0.00    -0.339 N 
ATOM     19  H   LIG    1       -3.459  -1.161  -0.615  0.00  0.00    +0.146 HD
BRANCH  18  22
ATOM     20  C   LIG    1       -5.365  -0.844  -2.366  0.00  0.00    +0.047 C 
ATOM     21  C   LIG    1       -5.975  -0.577  -1.020  0.00  0.00    -0.011 A 
ATOM     22  C   LIG    1       -5.192  -0.464   0.148  0.00  0.00    +0.043 A 
ATOM     23  C   LIG    1       -5.885  -0.219   1.356  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1       -7.273  -0.117   1.305  0.00  0.00    +0.141 A 
ATOM     25  N   LIG    1       -7.731   0.116   2.574  0.00  0.00    -0.330 N 
ATOM     26  H   LIG    1       -8.702   0.227   2.820  0.00  0.00    +0.168 HD
ATOM     27  C   LIG    1       -6.670   0.163   3.421  0.00  0.00    +0.109 A 
ATOM     28 CL   LIG    1       -6.968   0.442   5.067  0.00  0.00    -0.064 Cl
ATOM     29  N   LIG    1       -8.063  -0.221   0.225  0.00  0.00    -0.237 NA
ATOM     30  C   LIG    1       -5.511  -0.041   2.722  0.00  0.00    +0.051 A 
ATOM     31  C   LIG    1       -7.364  -0.456  -0.909  0.00  0.00    +0.118 A 
ENDBRANCH  18  22
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 6