REMARK  Name = BDB046078
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.345  -0.495  -0.987  0.00  0.00    +0.106 A 
ATOM      2  C   LIG    1       -1.084   0.013   0.079  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1       -0.661   1.036   1.085  0.00  0.00    +0.057 C 
ATOM      4  C   LIG    1       -1.821   1.917   1.541  0.00  0.00    +0.109 C 
ATOM      5  N   LIG    1       -2.733   1.228   2.431  0.00  0.00    -0.311 N 
ATOM      6  H   LIG    1       -2.973   1.683   3.304  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -3.617   0.226   2.124  0.00  0.00    +0.245 C 
ATOM      8  C   LIG    1       -3.546  -0.528   0.848  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -4.681  -1.271   0.466  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -4.688  -2.040  -0.695  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -3.559  -2.105  -1.510  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1       -2.430  -1.376  -1.118  0.00  0.00    +0.048 A 
ATOM     13  O   LIG    1       -4.494  -0.041   2.945  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -2.389  -0.587   0.033  0.00  0.00    +0.016 A 
ATOM     15  N   LIG    1       -1.207  -1.270  -1.728  0.00  0.00    -0.350 N 
ATOM     16  H   LIG    1       -0.945  -1.725  -2.593  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   1  18
ATOM     17  O   LIG    1        1.323  -0.433  -2.610  0.00  0.00    -0.268 OA
ATOM     18  C   LIG    1        1.030  -0.312  -1.426  0.00  0.00    +0.265 C 
ATOM     19  N   LIG    1        1.918  -0.078  -0.398  0.00  0.00    -0.280 N 
ATOM     20  H   LIG    1        1.552  -0.193   0.536  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.299   0.188  -0.489  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        3.981   0.379  -1.693  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        5.353   0.649  -1.695  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        6.054   0.734  -0.494  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.383   0.551   0.711  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.013   0.281   0.713  0.00  0.00    +0.023 A 
ENDBRANCH  19  21
ENDBRANCH   1  18
TORSDOF 2