REMARK  Name = BDB013044
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.173  -0.272   0.383  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        0.381   0.036  -0.758  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.981  -0.078  -0.624  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.496   0.200  -1.855  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.526   0.522  -2.681  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.604  -0.451   0.570  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.877  -0.761   1.610  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.661   0.420  -1.988  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.496  -0.669   1.484  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.463  -0.127   0.407  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1        4.789  -0.788  -0.624  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        3.392  -0.828  -0.626  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        2.654  -0.232   0.411  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        3.348   0.413   1.449  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        4.745   0.456   1.454  0.00  0.00    +0.013 A 
BRANCH  10  18
ATOM     16  C   LIG    1        7.063   1.167  -1.741  0.00  0.00    +0.132 C 
ATOM     17  N   LIG    1        7.639   0.354  -0.678  0.00  0.00    -0.304 N 
ATOM     18  C   LIG    1        6.942  -0.089   0.445  0.00  0.00    +0.246 C 
ATOM     19  O   LIG    1        7.490  -0.472   1.477  0.00  0.00    -0.270 OA
ATOM     20  C   LIG    1        9.086   0.233  -0.680  0.00  0.00    +0.132 C 
ENDBRANCH  10  18
ENDBRANCH   1  13
BRANCH   6  21
ATOM     21  N   LIG    1       -2.977  -0.518   0.658  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -3.203  -1.029   1.513  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.746   0.723   0.672  0.00  0.00    +0.140 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.189   0.413   0.963  0.00  0.00    -0.024 A 
ATOM     25  C   LIG    1       -6.026  -0.168   0.014  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -5.736  -0.629  -1.365  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -7.164  -0.863  -1.856  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -8.028  -1.067  -0.716  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -7.345  -0.481   0.318  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -7.889  -0.240   1.561  0.00  0.00    +0.046 A 
ATOM     31  C   LIG    1       -7.073   0.346   2.528  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -5.737   0.668   2.233  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 5