REMARK  Name = BDB028215
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.408   1.300   0.662  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1       -1.292   0.213   0.576  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -2.632   0.420   0.222  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -3.083   1.711  -0.041  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -4.491   1.919  -0.415  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -5.272   0.792  -0.476  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -6.247   0.916  -0.731  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -4.865  -0.481  -0.223  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -4.928   3.038  -0.657  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -2.210   2.801   0.050  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -3.622  -0.682   0.110  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -0.876   2.593   0.405  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  17
ATOM     13  C   LIG    1        4.153  -0.878  -0.691  0.00  0.00    +0.125 A 
ATOM     14  C   LIG    1        4.245  -0.246   0.501  0.00  0.00    +0.092 A 
ATOM     15  C   LIG    1        3.111   0.427   1.042  0.00  0.00    +0.141 A 
ATOM     16  N   LIG    1        1.927   0.392   0.310  0.00  0.00    -0.299 N 
ATOM     17  C   LIG    1        0.983   1.092   1.043  0.00  0.00    +0.073 A 
ATOM     18  C   LIG    1        1.671   1.536   2.158  0.00  0.00    +0.139 A 
ATOM     19  C   LIG    1        1.824  -0.247  -0.927  0.00  0.00    +0.097 A 
ATOM     20  N   LIG    1        2.974   1.115   2.155  0.00  0.00    -0.235 NA
ATOM     21  C   LIG    1        2.898  -0.874  -1.435  0.00  0.00    +0.064 A 
BRANCH  13  23
ATOM     22  C   LIG    1        6.418  -1.638  -0.719  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1        5.143  -1.568  -1.347  0.00  0.00    -0.495 OA
ENDBRANCH  13  23
ENDBRANCH   1  17
BRANCH  11  24
ATOM     24  C   LIG    1       -3.153  -2.113   0.397  0.00  0.00    +0.136 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.252  -3.071   0.230  0.00  0.00    -0.325 NA
ATOM     26  H   LIG    1       -4.639  -2.937  -0.708  0.00  0.00    +0.119 HD
ATOM     27  H   LIG    1       -5.018  -2.772   0.838  0.00  0.00    +0.119 HD
ENDBRANCH  24  25
ENDBRANCH  11  24
TORSDOF 4