REMARK  Name = BDB052633
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.655   0.485  -0.099  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        3.249   0.457  -0.084  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1        2.599  -0.759  -0.244  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1        1.175  -1.155  -0.281  0.00  0.00    +0.048 C 
ATOM      5  C   LIG    1        1.167  -2.652  -0.490  0.00  0.00    +0.249 C 
ATOM      6  N   LIG    1        2.498  -3.024  -0.559  0.00  0.00    -0.281 N 
ATOM      7  H   LIG    1        2.793  -3.979  -0.696  0.00  0.00    +0.155 HD
ATOM      8  O   LIG    1        0.209  -3.397  -0.581  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.168  -0.276  -0.145  0.00  0.00    +0.039 C 
ATOM     10  C   LIG    1        3.339  -1.928  -0.417  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        4.716  -1.938  -0.436  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1        5.374  -0.713  -0.274  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1       -1.241  -0.491  -0.158  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1       -2.302   0.412  -0.028  0.00  0.00    -0.011 A 
ATOM     15  C   LIG    1       -3.512  -0.344  -0.097  0.00  0.00    +0.042 A 
ATOM     16  C   LIG    1       -4.920   0.034  -0.011  0.00  0.00    +0.165 C 
ATOM     17  C   LIG    1       -5.929  -1.115  -0.046  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1       -5.443  -2.308  -0.882  0.00  0.00    +0.014 C 
ATOM     19  C   LIG    1       -4.071  -2.822  -0.419  0.00  0.00    +0.054 C 
ATOM     20  O   LIG    1       -5.289   1.196   0.147  0.00  0.00    -0.292 OA
ATOM     21  C   LIG    1       -3.152  -1.662  -0.280  0.00  0.00    +0.027 A 
ATOM     22  N   LIG    1       -1.791  -1.743  -0.310  0.00  0.00    -0.358 N 
ATOM     23  H   LIG    1       -1.268  -2.607  -0.431  0.00  0.00    +0.166 HD
BRANCH  14  24
ATOM     24  C   LIG    1       -2.195   1.902   0.153  0.00  0.00    +0.049 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.012   2.315   1.607  0.00  0.00    +0.125 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.332   2.590   2.261  0.00  0.00    +0.305 C 
ATOM     27  O   LIG    1       -3.903   3.669   2.284  0.00  0.00    -0.251 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -3.873   1.508   2.850  0.00  0.00    -0.481 OA
ATOM     29  H   LIG    1       -4.770   1.815   3.099  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  14  24
ENDBRANCH   9  13
BRANCH   1  32
ATOM     30  C   LIG    1        6.893   3.502   0.281  0.00  0.00    +0.109 C 
ATOM     31  C   LIG    1        6.622   2.032   0.080  0.00  0.00    +0.214 C 
ATOM     32  N   LIG    1        5.267   1.746   0.069  0.00  0.00    -0.286 N 
ATOM     33  H   LIG    1        4.641   2.533   0.187  0.00  0.00    +0.155 HD
ATOM     34  O   LIG    1        7.543   1.240  -0.075  0.00  0.00    -0.276 OA
ENDBRANCH   1  32
TORSDOF 6