REMARK  Name = BDB060690
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.487   0.808   1.393  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1       -0.920   0.587   1.329  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1       -1.459   1.163   2.471  0.00  0.00    +0.154 A 
ATOM      4  C   LIG    1       -2.817   1.146   2.748  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -3.605   0.505   1.790  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -3.014  -0.061   0.653  0.00  0.00    +0.075 A 
ATOM      7  O   LIG    1       -0.481   1.717   3.232  0.00  0.00    -0.461 OA
ATOM      8  N   LIG    1       -1.682  -0.038   0.395  0.00  0.00    -0.243 NA
ATOM      9  C   LIG    1        0.691   1.494   2.578  0.00  0.00    +0.206 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        3.612  -0.367  -1.287  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1        3.742   0.793  -0.526  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        2.720   1.181   0.352  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        1.553   0.414   0.483  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        1.430  -0.746  -0.290  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        2.452  -1.131  -1.164  0.00  0.00    +0.046 A 
BRANCH  10  17
ATOM     16  C   LIG    1        5.727  -0.108  -2.340  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        4.529  -0.856  -2.175  0.00  0.00    -0.495 OA
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   6  18
ATOM     18  C   LIG    1       -3.830  -0.730  -0.351  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1       -3.346  -1.253  -1.534  0.00  0.00    +0.115 A 
ATOM     20  N   LIG    1       -4.414  -1.787  -2.191  0.00  0.00    -0.284 N 
ATOM     21  H   LIG    1       -4.427  -2.253  -3.092  0.00  0.00    +0.188 HD
ATOM     22  N   LIG    1       -5.572  -1.654  -1.523  0.00  0.00    -0.182 NA
ATOM     23  C   LIG    1       -5.215  -1.012  -0.406  0.00  0.00    +0.144 A 
ENDBRANCH   6  18
TORSDOF 3