REMARK  Name = BDB002857
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.849  -1.740   0.137  0.00  0.00    +0.127 A 
ATOM      2  C   LIG    1        2.595  -0.361   0.082  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.258   0.090   0.139  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1        0.660   1.389   0.101  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1       -0.723   1.221   0.193  0.00  0.00    +0.050 A 
ATOM      6  N   LIG    1       -0.957  -0.137   0.290  0.00  0.00    -0.338 N 
ATOM      7  C   LIG    1       -1.604   2.316   0.175  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1       -1.062   3.600   0.065  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        0.313   3.790  -0.025  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        1.182   2.695  -0.009  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1        0.229  -0.847   0.252  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1        0.479  -2.229   0.305  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        1.807  -2.665   0.246  0.00  0.00    +0.035 A 
ENDROOT
BRANCH   1  15
ATOM     14  O   LIG    1        5.136  -1.370  -0.025  0.00  0.00    -0.126 OA
ATOM     15  N   LIG    1        4.237  -2.217   0.078  0.00  0.00    +0.056 N 
ATOM     16  O   LIG    1        4.430  -3.441   0.133  0.00  0.00    -0.126 OA
ENDBRANCH   1  15
BRANCH   6  17
ATOM     17  C   LIG    1       -2.274  -0.738   0.411  0.00  0.00    +0.150 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.882  -1.071  -0.945  0.00  0.00    +0.177 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -4.172  -1.654  -0.779  0.00  0.00    -0.393 OA
ATOM     20  H   LIG    1       -4.792  -0.943  -0.540  0.00  0.00    +0.209 HD
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   6  17
TORSDOF 4