REMARK  Name = BDB051468
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.208   0.448   0.059  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -2.912  -0.086  -0.089  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -2.771  -1.398  -0.530  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -1.416  -1.604  -0.566  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1       -0.965  -2.468  -0.825  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -0.775  -0.453  -0.166  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1       -3.850  -2.230  -0.836  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -5.130  -1.687  -0.683  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -1.667   0.475   0.135  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -5.309  -0.373  -0.244  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        0.681  -0.303  -0.071  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        1.572  -1.191  -0.690  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        2.956  -1.012  -0.574  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        3.470   0.063   0.159  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        2.594   0.955   0.781  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        1.212   0.771   0.661  0.00  0.00    +0.012 A 
BRANCH  14  17
ATOM     17  C   LIG    1        4.937   0.240   0.266  0.00  0.00    +0.175 A 
ATOM     18  N   LIG    1        5.520   1.362   0.798  0.00  0.00    -0.197 N 
ATOM     19  H   LIG    1        5.189   2.249   0.427  0.00  0.00    +0.209 HD
ATOM     20  O   LIG    1        6.893   1.154   0.583  0.00  0.00    -0.320 OA
ATOM     21  C   LIG    1        7.028  -0.115   0.054  0.00  0.00    +0.461 A 
ATOM     22  O   LIG    1        8.100  -0.636  -0.209  0.00  0.00    -0.219 OA
ATOM     23  N   LIG    1        5.781  -0.659  -0.153  0.00  0.00    -0.153 NA
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  27
ATOM     24  N   LIG    1       -3.345   2.602   0.794  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1       -2.405   2.231   0.678  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -3.477   3.553   1.103  0.00  0.00    +0.145 HD
ATOM     27  C   LIG    1       -4.442   1.837   0.521  0.00  0.00    +0.244 C 
ATOM     28  O   LIG    1       -5.574   2.287   0.652  0.00  0.00    -0.270 OA
ENDBRANCH   1  27
TORSDOF 3