REMARK  Name = BDB032047
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.135  -2.512   0.095  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.989  -1.812   0.119  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -0.120  -2.545   0.044  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -1.443  -2.083   0.042  0.00  0.00    -0.273 N 
ATOM      5  C   LIG    1       -2.311  -3.189  -0.081  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -1.487  -4.334  -0.122  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -1.929  -5.691  -0.260  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -3.529  -3.167  -0.146  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -0.159  -3.915  -0.052  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1        1.034  -4.559  -0.067  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        2.193  -3.868   0.009  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -1.805  -0.677   0.078  0.00  0.00    +0.096 C 
ATOM     13  C   LIG    1       -2.395  -0.202  -1.261  0.00  0.00    +0.040 C 
ATOM     14  C   LIG    1       -3.426   0.921  -1.088  0.00  0.00    +0.087 C 
ATOM     15  N   LIG    1       -2.992   1.818  -0.014  0.00  0.00    -0.295 NA
ATOM     16  C   LIG    1       -3.031   1.153   1.299  0.00  0.00    +0.087 C 
ATOM     17  C   LIG    1       -2.755  -0.354   1.233  0.00  0.00    +0.040 C 
BRANCH  15  18
ATOM     18  C   LIG    1       -3.669   3.133   0.080  0.00  0.00    +0.108 C 
ATOM     19  C   LIG    1       -3.560   3.937  -1.223  0.00  0.00    +0.181 C 
ATOM     20  O   LIG    1       -4.947   3.656  -1.557  0.00  0.00    -0.377 OA
ATOM     21  C   LIG    1       -5.172   3.118  -0.227  0.00  0.00    +0.181 C 
ENDBRANCH  15  18
ENDBRANCH   4  12
BRANCH   1  22
ATOM     22  N   LIG    1        3.376  -1.885   0.176  0.00  0.00    -0.283 N 
ATOM     23  H   LIG    1        4.093  -2.594   0.140  0.00  0.00    +0.155 HD
BRANCH  22  26
ATOM     24  C   LIG    1        6.188  -1.303   0.637  0.00  0.00    +0.046 C 
ATOM     25  C   LIG    1        5.152  -0.234   0.407  0.00  0.00    -0.027 A 
ATOM     26  C   LIG    1        3.797  -0.547   0.172  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        2.909   0.523  -0.006  0.00  0.00    +0.033 A 
ATOM     28  C   LIG    1        3.339   1.865   0.021  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        4.693   2.169   0.240  0.00  0.00    +0.071 A 
ATOM     30  N   LIG    1        5.153   3.434   0.274  0.00  0.00    -0.255 NA
ATOM     31  C   LIG    1        4.265   4.435   0.088  0.00  0.00    +0.111 A 
ATOM     32  C   LIG    1        2.916   4.238  -0.133  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1        2.448   2.930  -0.166  0.00  0.00    +0.011 A 
ATOM     34  C   LIG    1        5.570   1.114   0.429  0.00  0.00    +0.033 A 
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 4