REMARK  Name = BDB050359
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.716  -0.089  -0.249  0.00  0.00    -0.243 N 
ATOM      2  C   LIG    1        1.381  -1.246   0.184  0.00  0.00    +0.266 A 
ATOM      3  O   LIG    1        0.834  -2.293   0.527  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1        2.856  -1.177   0.291  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1        3.512   0.041   0.102  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        4.922   0.094   0.231  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1        5.633  -1.076   0.539  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        4.966  -2.286   0.723  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        5.586   1.318   0.054  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        4.872   2.477  -0.247  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        3.487   2.423  -0.377  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        2.809   1.208  -0.204  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1        3.580  -2.337   0.602  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1        1.337   1.164  -0.371  0.00  0.00    +0.266 A 
ATOM     15  O   LIG    1        0.763   2.221  -0.632  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1  18
ATOM     16  C   LIG    1       -0.540  -2.093  -2.114  0.00  0.00    +0.046 C 
ATOM     17  C   LIG    1       -1.329  -1.138  -1.254  0.00  0.00    -0.024 A 
ATOM     18  C   LIG    1       -0.715  -0.160  -0.409  0.00  0.00    +0.058 A 
ATOM     19  C   LIG    1       -1.520   0.760   0.295  0.00  0.00    +0.054 A 
ATOM     20  C   LIG    1       -2.889   0.656   0.177  0.00  0.00    +0.072 A 
ATOM     21  N   LIG    1       -3.908   1.416   0.765  0.00  0.00    -0.295 N 
ATOM     22  C   LIG    1       -5.159   0.916   0.341  0.00  0.00    +0.330 A 
ATOM     23  N   LIG    1       -4.874  -0.170  -0.516  0.00  0.00    -0.295 N 
ATOM     24  C   LIG    1       -5.847  -0.982  -1.185  0.00  0.00    +0.154 C 
ATOM     25  O   LIG    1       -6.262   1.337   0.650  0.00  0.00    -0.246 OA
ATOM     26  C   LIG    1       -3.709   2.535   1.639  0.00  0.00    +0.154 C 
ATOM     27  C   LIG    1       -3.485  -0.322  -0.613  0.00  0.00    +0.070 A 
ATOM     28  C   LIG    1       -2.736  -1.227  -1.332  0.00  0.00    +0.033 A 
ENDBRANCH   1  18
TORSDOF 1