REMARK  Name = BDB049555
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.485  -0.993   1.447  0.00  0.00    +0.049 C 
ATOM      2  C   LIG    1        0.615  -2.094   2.438  0.00  0.00    +0.245 C 
ATOM      3  O   LIG    1       -0.292  -2.693   2.985  0.00  0.00    -0.270 OA
ATOM      4  N   LIG    1        1.952  -2.322   2.642  0.00  0.00    -0.307 N 
ATOM      5  H   LIG    1        2.271  -3.027   3.292  0.00  0.00    +0.149 HD
ATOM      6  C   LIG    1        2.779  -1.448   1.877  0.00  0.00    +0.141 C 
ATOM      7  C   LIG    1        1.751  -0.639   1.157  0.00  0.00    -0.009 C 
ENDROOT
BRANCH   7   8
ATOM      8  C   LIG    1        2.225   0.412   0.326  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1        3.019   0.311  -0.855  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1        3.215   1.612  -1.323  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        3.952   1.899  -2.478  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1        4.501   0.823  -3.181  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        4.315  -0.487  -2.748  0.00  0.00    +0.001 A 
ATOM     14  N   LIG    1        2.562   2.461  -0.457  0.00  0.00    -0.360 N 
ATOM     15  H   LIG    1        2.529   3.467  -0.556  0.00  0.00    +0.165 HD
ATOM     16  C   LIG    1        3.575  -0.757  -1.590  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        1.957   1.746   0.541  0.00  0.00    +0.092 A 
ENDBRANCH   7   8
BRANCH   1  22
ATOM     18  C   LIG    1       -3.066   0.301   1.385  0.00  0.00    +0.166 A 
ATOM     19  C   LIG    1       -3.192   0.644   0.029  0.00  0.00    +0.204 A 
ATOM     20  C   LIG    1       -2.127   0.469  -0.868  0.00  0.00    +0.166 A 
ATOM     21  C   LIG    1       -0.938  -0.092  -0.398  0.00  0.00    +0.058 A 
ATOM     22  C   LIG    1       -0.780  -0.432   0.957  0.00  0.00    -0.005 A 
ATOM     23  C   LIG    1       -1.857  -0.236   1.836  0.00  0.00    +0.058 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -4.101   0.093   3.525  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -4.164   0.532   2.175  0.00  0.00    -0.491 OA
ENDBRANCH  18  25
BRANCH  19  26
ATOM     26  O   LIG    1       -4.359   1.226  -0.416  0.00  0.00    -0.488 OA
ATOM     27  C   LIG    1       -5.263   0.214  -0.858  0.00  0.00    +0.277 C 
ENDBRANCH  19  26
BRANCH  20  28
ATOM     28  O   LIG    1       -2.349   0.849  -2.167  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -1.213   0.929  -3.019  0.00  0.00    +0.277 C 
ENDBRANCH  20  28
ENDBRANCH   1  22
TORSDOF 5