REMARK  Name = BDB043076
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.710  -2.179  -1.430  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1       -0.411  -1.361  -1.280  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1        0.543  -1.847  -0.661  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -0.366  -0.044  -1.689  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -1.297   0.696  -2.545  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1       -0.764   2.138  -2.493  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1        0.746   1.915  -2.416  0.00  0.00    +0.014 C 
ATOM      8  C   LIG    1        1.572   3.132  -2.022  0.00  0.00    +0.021 C 
ATOM      9  C   LIG    1        1.538   3.452  -0.528  0.00  0.00    +0.085 C 
ATOM     10  N   LIG    1        1.896   2.265   0.260  0.00  0.00    -0.300 NA
ATOM     11  C   LIG    1        0.902   1.203   0.046  0.00  0.00    +0.107 C 
ATOM     12  C   LIG    1       -2.748   0.615  -2.099  0.00  0.00    +0.022 C 
ATOM     13  C   LIG    1       -3.447  -0.654  -2.587  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        0.848   0.746  -1.431  0.00  0.00    +0.094 C 
ATOM     15  C   LIG    1       -2.569  -1.902  -2.662  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1       -3.240  -3.150   0.269  0.00  0.00    +0.230 C 
ATOM     17  N   LIG    1       -2.455  -2.108  -0.184  0.00  0.00    -0.303 N 
ATOM     18  H   LIG    1       -2.678  -1.204   0.221  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1       -3.348  -4.225  -0.315  0.00  0.00    -0.274 OA
BRANCH  16  20
ATOM     20  C   LIG    1       -3.942  -2.809   1.605  0.00  0.00    +0.137 C 
ATOM     21  C   LIG    1       -4.866  -3.950   2.033  0.00  0.00    +0.034 C 
BRANCH  20  23
ATOM     22  C   LIG    1       -5.009  -0.916   2.708  0.00  0.00    +0.101 C 
ATOM     23  N   LIG    1       -4.651  -1.517   1.431  0.00  0.00    -0.309 NA
ATOM     24  H   LIG    1       -5.499  -1.688   0.889  0.00  0.00    +0.122 HD
ENDBRANCH  20  23
ENDBRANCH  16  20
ENDBRANCH   1  17
BRANCH  10  25
ATOM     25  C   LIG    1        2.056   2.612   1.685  0.00  0.00    +0.089 C 
BRANCH  25  26
ATOM     26  C   LIG    1        2.589   1.488   2.598  0.00  0.00    +0.050 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.909   0.896   2.163  0.00  0.00    -0.046 A 
ATOM     28  C   LIG    1        5.104   1.614   2.337  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1        6.325   1.068   1.933  0.00  0.00    +0.033 A 
ATOM     30  C   LIG    1        6.354  -0.210   1.357  0.00  0.00    +0.126 A 
ATOM     31  C   LIG    1        5.170  -0.934   1.167  0.00  0.00    +0.033 A 
ATOM     32  C   LIG    1        3.955  -0.376   1.567  0.00  0.00    +0.006 A 
BRANCH  30  33
ATOM     33  N   LIG    1        7.635  -0.788   0.936  0.00  0.00    +0.056 N 
ATOM     34  O   LIG    1        8.666  -0.150   1.189  0.00  0.00    -0.126 OA
ATOM     35  O   LIG    1        7.616  -1.880   0.351  0.00  0.00    -0.126 OA
ENDBRANCH  30  33
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 7