REMARK  Name = BDB025321
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.337  -0.566   0.316  0.00  0.00    +0.216 A 
ATOM      2  N   LIG    1        2.014  -0.843   0.345  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1        1.235   0.258   0.291  0.00  0.00    +0.146 A 
ATOM      4  C   LIG    1        1.660   1.577   0.194  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        0.493   2.394   0.137  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -0.623   1.549   0.206  0.00  0.00    +0.052 A 
ATOM      7  C   LIG    1       -1.932   2.061   0.167  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1       -2.103   3.444   0.055  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -1.009   4.298  -0.015  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        0.291   3.786   0.025  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1        3.046   1.810   0.162  0.00  0.00    +0.017 A 
ATOM     12  N   LIG    1       -0.141   0.255   0.315  0.00  0.00    -0.313 N 
ATOM     13  C   LIG    1        3.892   0.703   0.226  0.00  0.00    +0.068 A 
ENDROOT
BRANCH  12  14
ATOM     14  C   LIG    1       -0.927  -0.977   0.367  0.00  0.00    +0.176 C 
ATOM     15  C   LIG    1       -1.961  -0.976   1.483  0.00  0.00    +0.242 C 
ATOM     16  O   LIG    1       -1.800  -0.437   2.575  0.00  0.00    -0.273 OA
ATOM     17  N   LIG    1       -3.110  -1.699   1.246  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -3.778  -1.720   2.005  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -3.381  -2.533   0.190  0.00  0.00    +0.219 C 
ATOM     20  O   LIG    1       -4.386  -3.237   0.180  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1       -2.344  -2.588  -0.905  0.00  0.00    +0.099 C 
ATOM     22  C   LIG    1       -1.566  -1.286  -0.990  0.00  0.00    +0.044 C 
ENDBRANCH  12  14
BRANCH   1  24
ATOM     23  C   LIG    1        3.643  -2.882   0.513  0.00  0.00    +0.279 C 
ATOM     24  O   LIG    1        4.252  -1.604   0.369  0.00  0.00    -0.480 OA
ENDBRANCH   1  24
TORSDOF 2