REMARK  Name = BDB032541
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.945  -0.004  -0.377  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1        1.635  -1.355  -0.398  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        2.392  -2.306  -0.388  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.172  -1.455  -0.414  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -0.623  -2.584  -0.501  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1       -2.006  -2.397  -0.485  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1       -2.541  -1.103  -0.381  0.00  0.00    +0.163 A 
ATOM      8  O   LIG    1       -3.909  -0.993  -0.341  0.00  0.00    -0.476 OA
ATOM      9  C   LIG    1       -4.387   0.307   0.102  0.00  0.00    +0.169 C 
ATOM     10  C   LIG    1       -5.919   0.503   0.004  0.00  0.00    +0.133 C 
ATOM     11  N   LIG    1       -6.044   0.156   1.435  0.00  0.00    -0.308 NA
ATOM     12  H   LIG    1       -6.251  -0.834   1.583  0.00  0.00    +0.122 HD
ATOM     13  C   LIG    1       -4.610   0.466   1.627  0.00  0.00    +0.133 C 
ATOM     14  C   LIG    1       -3.576   1.412  -0.560  0.00  0.00    +0.279 C 
ATOM     15  O   LIG    1       -2.183   1.307  -0.220  0.00  0.00    -0.484 OA
ATOM     16  C   LIG    1       -1.715   0.028  -0.312  0.00  0.00    +0.168 A 
ATOM     17  C   LIG    1       -0.349  -0.166  -0.317  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1        0.756   0.825  -0.215  0.00  0.00    +0.148 C 
ENDROOT
BRANCH   1  25
ATOM     19  O   LIG    1        7.220   0.534   1.122  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        6.058   0.464   0.730  0.00  0.00    +0.219 C 
ATOM     21  N   LIG    1        5.019   0.339   1.617  0.00  0.00    -0.255 N 
ATOM     22  H   LIG    1        5.275   0.275   2.593  0.00  0.00    +0.158 HD
ATOM     23  C   LIG    1        3.670   0.382   1.352  0.00  0.00    +0.240 C 
ATOM     24  O   LIG    1        2.856   0.405   2.275  0.00  0.00    -0.273 OA
ATOM     25  C   LIG    1        3.280   0.530  -0.127  0.00  0.00    +0.163 C 
ATOM     26  C   LIG    1        4.359  -0.067  -1.029  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1        5.692   0.602  -0.729  0.00  0.00    +0.098 C 
ENDBRANCH   1  25
TORSDOF 1