REMARK  Name = BDB041963
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.141  -1.855   0.793  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1        0.525  -0.476   0.311  0.00  0.00    -0.016 A 
ATOM      3  C   LIG    1        1.909  -0.121   0.240  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        2.237   1.218  -0.081  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1        3.571   1.597  -0.140  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1        4.607   0.694   0.101  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        4.307  -0.623   0.408  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1        1.312   2.153  -0.328  0.00  0.00    -0.253 NA
ATOM      9  C   LIG    1        0.016   1.775  -0.307  0.00  0.00    +0.138 A 
ATOM     10  C   LIG    1        2.973  -1.027   0.477  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -0.445   0.491  -0.020  0.00  0.00    +0.072 A 
ENDROOT
BRANCH  11  12
ATOM     12  N   LIG    1       -1.858   0.230  -0.072  0.00  0.00    -0.268 N 
ATOM     13  C   LIG    1       -2.325  -0.855  -0.838  0.00  0.00    +0.334 A 
ATOM     14  O   LIG    1       -1.631  -1.606  -1.522  0.00  0.00    -0.246 OA
ATOM     15  N   LIG    1       -3.687  -1.042  -0.832  0.00  0.00    -0.275 N 
ATOM     16  H   LIG    1       -4.031  -1.798  -1.403  0.00  0.00    +0.173 HD
ATOM     17  C   LIG    1       -4.617  -0.193  -0.313  0.00  0.00    +0.254 A 
ATOM     18  O   LIG    1       -5.823  -0.344  -0.461  0.00  0.00    -0.268 OA
ATOM     19  C   LIG    1       -4.081   0.947   0.441  0.00  0.00    +0.088 A 
ATOM     20  C   LIG    1       -2.759   1.104   0.522  0.00  0.00    +0.101 A 
ENDBRANCH  11  12
TORSDOF 1