REMARK  Name = BDB052572
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.120  -1.002  -0.580  0.00  0.00    +0.249 C 
ATOM      2  N   LIG    1       -0.154  -1.748   0.072  0.00  0.00    -0.281 N 
ATOM      3  H   LIG    1       -0.473  -2.574   0.562  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.968   0.035  -1.209  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.225  -1.466   0.169  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1        1.830  -0.351  -0.421  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        3.196  -0.168  -0.260  0.00  0.00    -0.012 A 
ATOM      8  C   LIG    1        4.070   0.879  -0.750  0.00  0.00    -0.014 A 
ATOM      9  C   LIG    1        5.386   0.613  -0.313  0.00  0.00    -0.035 A 
ATOM     10  C   LIG    1        5.419  -0.662   0.505  0.00  0.00    +0.071 C 
ATOM     11  C   LIG    1        6.439   1.453  -0.635  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        6.163   2.581  -1.409  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        4.855   2.852  -1.847  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        3.797   1.998  -1.517  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        3.965  -1.088   0.482  0.00  0.00    -0.035 A 
ATOM     16  C   LIG    1        3.387  -2.195   1.072  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1        2.009  -2.378   0.910  0.00  0.00    +0.023 A 
ENDBRANCH   2   5
BRANCH   1  19
ATOM     18  C   LIG    1       -3.526  -0.876   0.165  0.00  0.00    -0.005 A 
ATOM     19  C   LIG    1       -2.482  -1.586  -0.462  0.00  0.00    +0.045 A 
ATOM     20  C   LIG    1       -2.695  -2.869  -0.992  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1       -3.950  -3.466  -0.890  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -4.990  -2.788  -0.262  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -4.781  -1.508   0.260  0.00  0.00    +0.009 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -3.890   1.642   0.185  0.00  0.00    +0.067 A 
ATOM     25  C   LIG    1       -3.346   0.466   0.746  0.00  0.00    -0.003 A 
ATOM     26  C   LIG    1       -2.626   0.583   1.954  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1       -2.454   1.818   2.584  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -3.007   2.965   2.028  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -3.725   2.878   0.837  0.00  0.00    +0.015 A 
BRANCH  24  31
ATOM     30  O   LIG    1       -5.576   2.469  -1.311  0.00  0.00    -0.245 OA
ATOM     31  C   LIG    1       -4.674   1.684  -1.074  0.00  0.00    +0.337 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -4.258   0.807  -2.000  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1       -4.805   0.998  -2.788  0.00  0.00    +0.295 HD
ENDBRANCH  31  32
ENDBRANCH  24  31
ENDBRANCH  18  25
ENDBRANCH   1  19
TORSDOF 5