REMARK  Name = BDB049826
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.725  -0.257  -2.393  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -4.534  -0.411  -1.658  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -4.185  -1.676  -1.193  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -3.003  -1.483  -0.526  0.00  0.00    -0.334 N 
ATOM      5  H   LIG    1       -2.487  -2.187  -0.017  0.00  0.00    +0.168 HD
ATOM      6  C   LIG    1       -2.656  -0.155  -0.611  0.00  0.00    +0.195 A 
ATOM      7  C   LIG    1       -4.958  -2.819  -1.411  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -6.137  -2.652  -2.144  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -3.578   0.513  -1.280  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1       -6.517  -1.397  -2.628  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -5.378   2.138  -2.652  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -4.529   2.053  -2.095  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -5.663   3.049  -2.978  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -6.166   1.056  -2.918  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1       -7.199   1.171  -3.567  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   6  16
ATOM     16  C   LIG    1       -1.470   0.453  -0.023  0.00  0.00    +0.280 C 
ATOM     17  N   LIG    1       -0.403  -0.424   0.147  0.00  0.00    -0.306 N 
ATOM     18  H   LIG    1       -0.375  -1.198  -0.502  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1       -1.395   1.639   0.287  0.00  0.00    -0.267 OA
BRANCH  17  20
ATOM     20  C   LIG    1        0.896   0.063   0.618  0.00  0.00    +0.076 C 
ATOM     21  C   LIG    1        0.866   0.468   2.092  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1        2.224   1.034   2.526  0.00  0.00    +0.086 C 
ATOM     23  N   LIG    1        3.365   0.475   1.779  0.00  0.00    -0.302 NA
ATOM     24  C   LIG    1        3.128  -0.919   1.416  0.00  0.00    +0.086 C 
ATOM     25  C   LIG    1        1.980  -1.008   0.403  0.00  0.00    +0.037 C 
BRANCH  23  26
ATOM     26  C   LIG    1        4.612   0.682   2.525  0.00  0.00    +0.088 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.805   0.517   1.627  0.00  0.00    +0.003 C 
ATOM     28  C   LIG    1        6.972   1.469   1.723  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1        6.075   1.504   0.518  0.00  0.00    +0.005 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  17  20
ENDBRANCH   6  16
TORSDOF 5