REMARK  Name = BDB025509
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.376  -0.349   0.367  0.00  0.00    +0.255 C 
ATOM      2  N   LIG    1       -1.665   0.082  -0.013  0.00  0.00    -0.202 N 
ATOM      3  C   LIG    1       -2.886  -0.419   0.379  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1       -3.178  -1.546   1.302  0.00  0.00    +0.084 C 
ATOM      5  C   LIG    1       -4.680  -1.491   1.663  0.00  0.00    +0.166 C 
ATOM      6  O   LIG    1       -5.509  -1.311   0.497  0.00  0.00    -0.375 OA
ATOM      7  C   LIG    1       -5.299  -0.027  -0.139  0.00  0.00    +0.200 C 
ATOM      8  C   LIG    1       -3.858   0.282  -0.299  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1       -3.151   1.224  -1.054  0.00  0.00    +0.144 A 
ATOM     10  N   LIG    1       -1.837   1.127  -0.876  0.00  0.00    -0.149 NA
ATOM     11  O   LIG    1       -0.273  -1.276   1.164  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     12  C   LIG    1        5.819  -0.173   0.213  0.00  0.00    +0.045 C 
ATOM     13  C   LIG    1        4.460  -0.662  -0.210  0.00  0.00    -0.029 A 
ATOM     14  C   LIG    1        3.309   0.151  -0.095  0.00  0.00    +0.034 A 
ATOM     15  N   LIG    1        3.418   1.441   0.460  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1        4.321   1.862   0.263  0.00  0.00    +0.146 HD
ATOM     17  C   LIG    1        2.308   2.341   0.200  0.00  0.00    +0.102 C 
ATOM     18  C   LIG    1        1.012   1.675   0.608  0.00  0.00    +0.036 C 
ATOM     19  C   LIG    1        0.772   0.434  -0.260  0.00  0.00    +0.113 C 
ATOM     20  C   LIG    1        2.047  -0.394  -0.422  0.00  0.00    -0.014 A 
ATOM     21  C   LIG    1        1.972  -1.682  -0.983  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        3.116  -2.455  -1.146  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        4.351  -1.953  -0.752  0.00  0.00    +0.005 A 
ENDBRANCH   1  19
BRANCH   9  24
ATOM     24  N   LIG    1       -3.710   2.132  -1.860  0.00  0.00    -0.341 N 
ATOM     25  H   LIG    1       -3.111   2.876  -2.201  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1       -4.680   2.403  -1.765  0.00  0.00    +0.144 HD
ENDBRANCH   9  24
TORSDOF 2