REMARK  Name = BDB046927
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.776   0.380  -0.681  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1        2.660  -0.019   0.054  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        1.904   0.958   0.695  0.00  0.00    +0.056 A 
ATOM      4  N   LIG    1        2.208   2.279   0.619  0.00  0.00    -0.259 NA
ATOM      5  C   LIG    1        3.294   2.634  -0.101  0.00  0.00    +0.112 A 
ATOM      6  C   LIG    1        4.104   1.732  -0.761  0.00  0.00    +0.034 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        5.608  -0.315  -2.072  0.00  0.00    -0.245 OA
ATOM      8  C   LIG    1        4.637  -0.592  -1.392  0.00  0.00    +0.337 C 
BRANCH   8   9
ATOM      9  O   LIG    1        4.246  -1.865  -1.214  0.00  0.00    -0.477 OA
ATOM     10  H   LIG    1        4.891  -2.387  -1.736  0.00  0.00    +0.295 HD
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   3  11
ATOM     11  C   LIG    1        0.668   0.570   1.482  0.00  0.00    +0.137 C 
BRANCH  11  12
ATOM     12  N   LIG    1       -0.424   0.149   0.599  0.00  0.00    -0.307 NA
ATOM     13  H   LIG    1       -0.632   0.919  -0.038  0.00  0.00    +0.123 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -1.628  -0.152   1.371  0.00  0.00    +0.116 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.774  -0.511   0.456  0.00  0.00    -0.034 A 
ATOM     16  C   LIG    1       -2.778  -1.736  -0.229  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -3.832  -2.070  -1.079  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.892  -1.183  -1.258  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.897   0.040  -0.589  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -3.842   0.376   0.262  0.00  0.00    +0.005 A 
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   3  11
TORSDOF 6