REMARK  Name = BDB060903
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.386   0.394  -3.124  0.00  0.00    +0.105 C 
ATOM      2  N   LIG    1        1.553   0.350  -1.674  0.00  0.00    -0.303 NA
ATOM      3  C   LIG    1        2.421  -0.757  -1.257  0.00  0.00    +0.092 C 
ATOM      4  C   LIG    1        2.768  -0.680   0.256  0.00  0.00    +0.035 C 
ATOM      5  C   LIG    1        1.658  -0.001   1.086  0.00  0.00    +0.033 C 
ATOM      6  C   LIG    1        0.291  -0.259   0.453  0.00  0.00    +0.088 C 
ATOM      7  C   LIG    1        0.246   0.319  -0.990  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        4.115  -0.037   0.546  0.00  0.00    -0.043 A 
ATOM      9  C   LIG    1        5.023  -0.673   1.407  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        6.260  -0.090   1.694  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        6.602   1.136   1.129  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        5.708   1.782   0.279  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        4.471   1.201  -0.008  0.00  0.00    +0.004 A 
ENDBRANCH   4   8
BRANCH   6  14
ATOM     14  N   LIG    1       -0.754   0.330   1.304  0.00  0.00    -0.311 N 
ATOM     15  H   LIG    1       -0.656   1.345   1.264  0.00  0.00    +0.149 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -2.071   0.052   1.033  0.00  0.00    +0.199 A 
ATOM     17  N   LIG    1       -2.613  -1.192   1.337  0.00  0.00    -0.284 N 
ATOM     18  C   LIG    1       -1.863  -2.202   2.061  0.00  0.00    +0.155 C 
ATOM     19  C   LIG    1       -3.923  -1.514   1.000  0.00  0.00    +0.258 A 
ATOM     20  O   LIG    1       -4.455  -2.606   1.179  0.00  0.00    -0.267 OA
ATOM     21  C   LIG    1       -4.668  -0.420   0.388  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1       -6.081  -0.427  -0.048  0.00  0.00    +0.043 C 
ATOM     23  C   LIG    1       -6.345   1.069  -0.264  0.00  0.00    +0.011 C 
ATOM     24  C   LIG    1       -4.973   1.739  -0.431  0.00  0.00    +0.056 C 
ATOM     25  C   LIG    1       -4.056   0.742   0.192  0.00  0.00    +0.053 A 
ATOM     26  N   LIG    1       -2.760   1.019   0.490  0.00  0.00    -0.220 NA
ENDBRANCH  14  16
ENDBRANCH   6  14
TORSDOF 3