REMARK  Name = BDB025596
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.066   1.076   0.467  0.00  0.00    +0.164 C 
ATOM      2  N   LIG    1       -1.061   0.311  -0.261  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1       -0.288  -0.627   0.392  0.00  0.00    +0.241 C 
ATOM      4  O   LIG    1       -0.418  -0.789   1.609  0.00  0.00    -0.273 OA
ATOM      5  C   LIG    1       -1.061   0.660  -1.679  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1       -2.246   1.616  -1.854  0.00  0.00    +0.134 C 
ATOM      7  C   LIG    1       -2.403   2.235  -0.465  0.00  0.00    +0.065 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -5.234  -0.111   2.220  0.00  0.00    +0.128 C 
ATOM      9  N   LIG    1       -4.072   0.641   1.813  0.00  0.00    -0.317 N 
ATOM     10  H   LIG    1       -3.588   1.164   2.533  0.00  0.00    +0.148 HD
ATOM     11  C   LIG    1       -3.329   0.226   0.723  0.00  0.00    +0.233 C 
ATOM     12  O   LIG    1       -3.686  -0.681  -0.026  0.00  0.00    -0.274 OA
ENDBRANCH   1  11
BRANCH   6  13
ATOM     13  O   LIG    1       -1.980   2.619  -2.820  0.00  0.00    -0.390 OA
ATOM     14  H   LIG    1       -2.785   3.159  -2.913  0.00  0.00    +0.210 HD
ENDBRANCH   6  13
BRANCH   3  15
ATOM     15  C   LIG    1        0.710  -1.448  -0.430  0.00  0.00    +0.198 C 
BRANCH  15  16
ATOM     16  N   LIG    1        1.806  -0.629  -0.924  0.00  0.00    -0.232 N 
ATOM     17  C   LIG    1        2.517   0.374  -0.310  0.00  0.00    +0.090 A 
ATOM     18  C   LIG    1        3.388   0.797  -1.310  0.00  0.00    +0.113 A 
ATOM     19  C   LIG    1        4.295   1.835  -1.052  0.00  0.00    +0.032 A 
ATOM     20  C   LIG    1        4.298   2.423   0.217  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        3.417   1.986   1.208  0.00  0.00    +0.002 A 
ATOM     22  N   LIG    1        3.179   0.066  -2.446  0.00  0.00    -0.129 NA
ATOM     23  C   LIG    1        2.505   0.951   0.967  0.00  0.00    +0.029 A 
ATOM     24  N   LIG    1        2.208  -0.801  -2.204  0.00  0.00    -0.064 NA
ENDBRANCH  15  16
BRANCH  15  25
ATOM     25  C   LIG    1        1.164  -2.751   0.290  0.00  0.00    +0.016 C 
ATOM     26  C   LIG    1        1.705  -3.780  -0.712  0.00  0.00    +0.010 C 
ATOM     27  C   LIG    1        2.193  -2.550   1.406  0.00  0.00    +0.010 C 
ENDBRANCH  15  25
ENDBRANCH   3  15
TORSDOF 5