REMARK  Name = BDB006813
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.397   1.577   0.351  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1        1.650   2.226  -0.382  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        2.137   0.425   0.516  0.00  0.00    +0.244 C 
ATOM      4  O   LIG    1        1.770  -0.531   1.189  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        3.436   0.363  -0.208  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        3.921  -0.894  -0.592  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1        5.145  -0.981  -1.266  0.00  0.00    +0.127 A 
ATOM      8  C   LIG    1        5.889   0.172  -1.552  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        5.407   1.420  -1.153  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        4.186   1.517  -0.480  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  N   LIG    1        5.656  -2.294  -1.681  0.00  0.00    +0.056 N 
ATOM     12  O   LIG    1        6.789  -2.337  -2.182  0.00  0.00    -0.126 OA
ATOM     13  O   LIG    1        4.925  -3.279  -1.512  0.00  0.00    -0.126 OA
ENDBRANCH   7  11
ENDBRANCH   3   5
BRANCH   1  14
ATOM     14  C   LIG    1        0.063   1.694   0.911  0.00  0.00    +0.106 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -0.991   1.096  -0.017  0.00  0.00    +0.034 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.383   1.191   0.608  0.00  0.00    +0.083 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -3.409   0.715  -0.321  0.00  0.00    -0.311 NA
ATOM     18  H   LIG    1       -4.188   1.374  -0.319  0.00  0.00    +0.122 HD
BRANCH  17  20
ATOM     19  C   LIG    1       -2.860  -1.720   0.006  0.00  0.00    +0.027 C 
ATOM     20  C   LIG    1       -3.949  -0.638  -0.075  0.00  0.00    +0.011 C 
ATOM     21  C   LIG    1       -4.813  -0.666   1.199  0.00  0.00    +0.027 C 
ATOM     22  C   LIG    1       -4.855  -0.958  -1.280  0.00  0.00    +0.027 C 
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 7