REMARK  Name = BDB037082
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.486   0.429   0.319  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1        1.218  -0.133   0.421  0.00  0.00    +0.251 C 
ATOM      3  O   LIG    1        0.846  -0.919   1.271  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.419   0.409  -0.692  0.00  0.00    +0.083 A 
ATOM      5  C   LIG    1        1.261   1.218  -1.459  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        0.783   1.871  -2.581  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -0.560   1.693  -2.923  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -1.409   0.866  -2.153  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1       -2.845   0.703  -2.559  0.00  0.00    +0.043 C 
ATOM     10  C   LIG    1       -3.444  -0.530  -1.897  0.00  0.00    +0.053 C 
ATOM     11  C   LIG    1       -3.104  -0.569  -0.395  0.00  0.00    +0.113 C 
ATOM     12  C   LIG    1       -3.718   0.633   0.364  0.00  0.00    +0.063 C 
ATOM     13  C   LIG    1       -4.082   0.258   1.797  0.00  0.00    +0.085 C 
ATOM     14  N   LIG    1       -5.103  -0.789   1.857  0.00  0.00    -0.316 NA
ATOM     15  H   LIG    1       -6.036  -0.379   1.874  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1       -5.015  -1.767   0.773  0.00  0.00    +0.085 C 
ATOM     17  C   LIG    1       -3.603  -1.901   0.217  0.00  0.00    +0.063 C 
ATOM     18  O   LIG    1       -1.673  -0.575  -0.205  0.00  0.00    -0.485 OA
ATOM     19  C   LIG    1       -0.917   0.225  -1.008  0.00  0.00    +0.137 A 
ATOM     20  C   LIG    1        2.640   1.222  -0.889  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  27
ATOM     21  O   LIG    1        7.585  -0.756   1.925  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1        6.378  -0.597   1.772  0.00  0.00    +0.219 C 
ATOM     23  N   LIG    1        5.654  -1.421   0.949  0.00  0.00    -0.255 N 
ATOM     24  H   LIG    1        6.211  -2.089   0.432  0.00  0.00    +0.158 HD
ATOM     25  C   LIG    1        4.457  -1.096   0.351  0.00  0.00    +0.240 C 
ATOM     26  O   LIG    1        4.141  -1.608  -0.720  0.00  0.00    -0.273 OA
ATOM     27  C   LIG    1        3.610  -0.059   1.109  0.00  0.00    +0.163 C 
ATOM     28  C   LIG    1        4.521   1.068   1.586  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1        5.609   0.494   2.481  0.00  0.00    +0.098 C 
ENDBRANCH   1  27
TORSDOF 1