REMARK  Name = BDB031262
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.341   0.863   0.378  0.00  0.00    +0.057 A 
ATOM      2  C   LIG    1        1.992  -0.297   0.812  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1        3.315  -0.393   0.463  0.00  0.00    +0.087 A 
ATOM      4  C   LIG    1        3.940   0.618  -0.266  0.00  0.00    +0.158 A 
ATOM      5  N   LIG    1        5.256   0.235  -0.462  0.00  0.00    -0.291 N 
ATOM      6  H   LIG    1        5.949   0.776  -0.949  0.00  0.00    +0.172 HD
ATOM      7  C   LIG    1        5.467  -1.006   0.144  0.00  0.00    +0.326 A 
ATOM      8  O   LIG    1        6.506  -1.639   0.172  0.00  0.00    -0.247 OA
ATOM      9  N   LIG    1        3.361   1.744  -0.685  0.00  0.00    -0.235 NA
ATOM     10  N   LIG    1        4.246  -1.392   0.718  0.00  0.00    -0.305 N 
ATOM     11  H   LIG    1        4.116  -2.248   1.232  0.00  0.00    +0.170 HD
ATOM     12  C   LIG    1        2.050   1.848  -0.330  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     13  O   LIG    1       -0.297   2.058   1.444  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -0.073   1.110   0.698  0.00  0.00    +0.252 C 
ATOM     15  N   LIG    1       -1.011   0.274   0.117  0.00  0.00    -0.267 N 
ATOM     16  C   LIG    1       -2.398   0.324   0.353  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -3.063  -0.580  -0.478  0.00  0.00    -0.024 A 
ATOM     18  C   LIG    1       -4.442  -0.723  -0.430  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -5.158   0.057   0.478  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.493   0.967   1.313  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -2.114  -1.279  -1.395  0.00  0.00    +0.056 C 
ATOM     22  C   LIG    1       -3.102   1.106   1.253  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1       -0.755  -0.773  -0.892  0.00  0.00    +0.118 C 
ENDBRANCH   1  14
TORSDOF 1