REMARK  Name = BDB053428
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.450  -0.513   0.669  0.00  0.00    +0.190 C 
ATOM      2  N   LIG    1       -1.948   0.720   0.411  0.00  0.00    -0.242 N 
ATOM      3  C   LIG    1       -2.635   1.988   0.433  0.00  0.00    +0.141 C 
ATOM      4  C   LIG    1       -0.604   0.605   0.197  0.00  0.00    +0.271 C 
ATOM      5  O   LIG    1        0.199   1.478  -0.069  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -0.375  -0.861   0.381  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        0.781  -1.528   0.274  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1       -1.575  -1.474   0.681  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        2.092  -0.957  -0.036  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        2.750  -0.126   0.882  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        3.994   0.358   0.537  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        4.771   1.172   1.302  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        5.908   1.355   0.435  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        5.812   0.621  -0.804  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        4.589   0.043  -0.662  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        3.975  -0.777  -1.583  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        2.712  -1.284  -1.261  0.00  0.00    +0.012 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -3.774  -0.731   0.935  0.00  0.00    -0.317 N 
ATOM     19  H   LIG    1       -3.795  -1.524   1.577  0.00  0.00    +0.149 HD
BRANCH  18  21
ATOM     20  C   LIG    1       -4.969   0.035  -1.098  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1       -4.650  -1.125  -0.174  0.00  0.00    +0.101 C 
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 3