REMARK  Name = BDB026333
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.152   0.677   0.944  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -1.792   2.008   0.407  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.449   2.485   1.003  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.708   1.604   0.718  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.265   0.216   0.433  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -0.998  -0.214   1.212  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -4.548   0.182   0.783  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1       -3.237   0.100   0.266  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -3.078  -0.556  -0.963  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -4.176  -1.103  -1.622  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1       -5.421  -0.976  -1.030  0.00  0.00    +0.126 A 
ATOM     12  N   LIG    1       -5.635  -0.346   0.157  0.00  0.00    -0.245 NA
BRANCH  11  13
ATOM     13  C   LIG    1       -6.632  -1.546  -1.706  0.00  0.00    +0.262 C 
ATOM     14  N   LIG    1       -7.801  -1.394  -0.991  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1       -7.729  -0.840  -0.140  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1       -9.085  -1.757  -1.522  0.00  0.00    +0.128 C 
ATOM     17  O   LIG    1       -6.561  -2.084  -2.805  0.00  0.00    -0.269 OA
ENDBRANCH  11  13
BRANCH   7  19
ATOM     18  C   LIG    1       -4.602  -0.143   3.270  0.00  0.00    +0.010 C 
ATOM     19  C   LIG    1       -4.825   0.828   2.120  0.00  0.00    +0.054 C 
ENDBRANCH   7  19
ENDBRANCH   1   8
BRANCH   4  20
ATOM     20  C   LIG    1        1.536   2.141  -0.373  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.841   1.393  -0.554  0.00  0.00    -0.031 A 
ATOM     22  C   LIG    1        3.755   1.295   0.506  0.00  0.00    +0.032 A 
ATOM     23  C   LIG    1        4.956   0.608   0.331  0.00  0.00    +0.068 A 
ATOM     24  C   LIG    1        5.276   0.011  -0.896  0.00  0.00    +0.088 A 
ATOM     25  N   LIG    1        6.478  -0.688  -1.106  0.00  0.00    -0.245 NA
ATOM     26  C   LIG    1        7.318  -0.780  -0.115  0.00  0.00    +0.106 A 
ATOM     27  C   LIG    1        7.049  -0.162   1.259  0.00  0.00    +0.271 A 
ATOM     28  O   LIG    1        7.863  -0.272   2.164  0.00  0.00    -0.266 OA
ATOM     29  C   LIG    1        4.368   0.115  -1.950  0.00  0.00    +0.030 A 
ATOM     30  N   LIG    1        5.859   0.507   1.392  0.00  0.00    -0.319 N 
ATOM     31  H   LIG    1        5.658   0.922   2.290  0.00  0.00    +0.169 HD
ATOM     32  C   LIG    1        3.160   0.800  -1.784  0.00  0.00    +0.007 A 
BRANCH  26  33
ATOM     33  C   LIG    1        8.633  -1.515  -0.259  0.00  0.00    +0.057 C 
ATOM     34  C   LIG    1        8.859  -2.112  -1.637  0.00  0.00    +0.010 C 
ENDBRANCH  26  33
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 6