REMARK  Name = BDB038865
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.580   0.761  -0.341  0.00  0.00    +0.090 C 
ATOM      2  N   LIG    1        0.855   1.888  -0.905  0.00  0.00    -0.270 NA
ENDROOT
BRANCH   1  13
ATOM      3  C   LIG    1       -0.865  -1.687  -1.822  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1       -1.428  -0.778  -0.784  0.00  0.00    -0.016 A 
ATOM      5  C   LIG    1       -2.748  -0.844  -0.233  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1       -2.868   0.191   0.693  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -4.038   0.424   1.425  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1       -5.122  -0.430   1.203  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -5.035  -1.474   0.284  0.00  0.00    +0.001 A 
ATOM     10  N   LIG    1       -1.669   0.860   0.706  0.00  0.00    -0.353 N 
ATOM     11  H   LIG    1       -1.465   1.661   1.287  0.00  0.00    +0.166 HD
ATOM     12  C   LIG    1       -3.857  -1.691  -0.439  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -0.777   0.283  -0.167  0.00  0.00    +0.069 A 
ENDBRANCH   1  13
BRANCH   1  14
ATOM     14  C   LIG    1        1.714  -0.085   0.168  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        3.023   0.234  -0.240  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1        4.095  -0.546   0.226  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        3.840  -1.611   1.081  0.00  0.00    +0.066 A 
ATOM     18  N   LIG    1        5.067  -2.160   1.349  0.00  0.00    -0.277 N 
ATOM     19  H   LIG    1        5.274  -2.957   1.939  0.00  0.00    +0.189 HD
ATOM     20  N   LIG    1        6.092  -1.539   0.738  0.00  0.00    -0.181 NA
ATOM     21  C   LIG    1        2.555  -1.952   1.510  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1        5.497  -0.556   0.056  0.00  0.00    +0.142 A 
ATOM     23  C   LIG    1        1.496  -1.165   1.038  0.00  0.00    +0.012 A 
ENDBRANCH   1  14
BRANCH   2  24
ATOM     24  C   LIG    1       -0.210   2.709  -1.492  0.00  0.00    +0.262 C 
BRANCH  24  25
ATOM     25  C   LIG    1        0.407   3.772  -2.386  0.00  0.00    +0.326 C 
ATOM     26  O   LIG    1        1.565   3.884  -2.752  0.00  0.00    -0.249 OA
BRANCH  25  27
ATOM     27  O   LIG    1       -0.516   4.667  -2.809  0.00  0.00    -0.479 OA
ATOM     28  H   LIG    1        0.009   5.273  -3.373  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH   2  24
TORSDOF 5