REMARK  Name = BDB004583
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.105  -0.136  -0.417  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1       -2.786   0.077  -0.874  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1       -1.742  -0.079   0.059  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -0.431   0.124  -0.420  0.00  0.00    +0.131 A 
ATOM      5  N   LIG    1       -0.178   0.488  -1.686  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1       -1.232   0.618  -2.490  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1       -2.032  -0.412   1.406  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -3.336  -0.614   1.835  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1       -2.511   0.423  -2.152  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1       -4.370  -0.480   0.923  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -5.124   0.301  -2.612  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -4.194   0.472  -2.982  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -5.931   0.402  -3.211  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -5.308  -0.014  -1.299  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1       -6.443  -0.192  -0.867  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1        0.661  -0.036   0.461  0.00  0.00    -0.312 N 
ATOM     17  H   LIG    1        0.607  -0.972   0.860  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  CA  LIG    1        1.999   0.160  -0.140  0.00  0.00    +0.212 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.000   0.296   1.002  0.00  0.00    -0.017 A 
ATOM     20  C   LIG    1        3.406  -0.812   1.767  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        4.313  -0.658   2.817  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.818   0.603   3.125  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.414   1.713   2.387  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        3.508   1.562   1.336  0.00  0.00    +0.006 A 
ENDBRANCH  18  19
BRANCH  18  25
ATOM     25  C   LIG    1        2.369  -1.006  -1.077  0.00  0.00    +0.330 C 
ATOM     26  O   LIG    1        1.954  -2.156  -1.001  0.00  0.00    -0.249 OA
BRANCH  25  27
ATOM     27  OXT LIG    1        3.281  -0.679  -2.020  0.00  0.00    -0.479 OA
ATOM     28  HXT LIG    1        3.418  -1.513  -2.515  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  18  25
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 6