REMARK  Name = BDB053439
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.876  -0.183  -2.017  0.00  0.00    +0.141 C 
ATOM      2  N   LIG    1       -1.148  -0.057  -0.777  0.00  0.00    -0.242 N 
ATOM      3  C   LIG    1       -1.630   0.239   0.456  0.00  0.00    +0.190 C 
ATOM      4  N   LIG    1       -0.724   0.411   1.374  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1        0.478   0.198   0.729  0.00  0.00    +0.130 C 
ATOM      6  C   LIG    1        1.663   0.265   1.350  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        0.215  -0.116  -0.708  0.00  0.00    +0.271 C 
ATOM      8  O   LIG    1        1.010  -0.357  -1.596  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        2.978   0.057   0.743  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        3.498   0.976  -0.179  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        4.755   0.733  -0.693  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        5.410   1.515  -1.593  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        6.630   0.765  -1.765  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        6.699  -0.418  -0.943  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        5.491  -0.367  -0.322  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        5.014  -1.286   0.588  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        3.742  -1.066   1.127  0.00  0.00    +0.012 A 
ENDBRANCH   6   9
BRANCH   3  18
ATOM     18  N   LIG    1       -2.958   0.377   0.737  0.00  0.00    -0.316 N 
ATOM     19  H   LIG    1       -3.034   0.758   1.677  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.849  -0.768   0.630  0.00  0.00    +0.107 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -5.297  -0.376   0.718  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1       -5.811   0.715   1.628  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -5.817   0.916   0.135  0.00  0.00    +0.005 C 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 4