REMARK  Name = BDB051726
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.521   0.526  -0.204  0.00  0.00    +0.151 A 
ATOM      2  C   LIG    1       -3.351   0.479   0.592  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -3.047   0.971   1.966  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -1.844   0.211   2.583  0.00  0.00    +0.043 C 
ATOM      5  C   LIG    1       -0.760  -0.152   1.598  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1       -1.030  -0.365   0.255  0.00  0.00    +0.097 A 
ATOM      7  N   LIG    1       -0.124  -0.746  -0.658  0.00  0.00    -0.213 NA
ATOM      8  C   LIG    1        1.121  -0.939  -0.205  0.00  0.00    +0.216 A 
ATOM      9  N   LIG    1        1.486  -0.780   1.075  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1        0.541  -0.396   1.954  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1       -2.388  -0.125  -0.193  0.00  0.00    +0.091 A 
ATOM     12  N   LIG    1       -2.996  -0.419  -1.376  0.00  0.00    -0.264 N 
ATOM     13  C   LIG    1       -2.421  -1.077  -2.525  0.00  0.00    +0.173 C 
ATOM     14  N   LIG    1       -4.297  -0.041  -1.412  0.00  0.00    -0.166 NA
ENDROOT
BRANCH   1  18
ATOM     15  C   LIG    1       -8.136   1.348  -0.707  0.00  0.00    +0.128 C 
ATOM     16  N   LIG    1       -6.754   0.999  -0.872  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1       -6.436   0.477  -1.685  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -5.835   1.089   0.151  0.00  0.00    +0.264 C 
ATOM     19  O   LIG    1       -6.082   1.577   1.250  0.00  0.00    -0.268 OA
ENDBRANCH   1  18
BRANCH   8  20
ATOM     20  N   LIG    1        2.036  -1.331  -1.162  0.00  0.00    -0.311 N 
ATOM     21  H   LIG    1        1.599  -1.141  -2.057  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.435  -0.916  -1.069  0.00  0.00    +0.076 C 
ATOM     23  C   LIG    1        3.614   0.605  -1.066  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1        5.089   0.930  -0.833  0.00  0.00    +0.086 C 
ATOM     25  N   LIG    1        5.589   0.451   0.461  0.00  0.00    -0.305 NA
ATOM     26  C   LIG    1        7.011   0.125   0.395  0.00  0.00    +0.104 C 
ATOM     27  C   LIG    1        4.792  -0.629   1.058  0.00  0.00    +0.086 C 
ATOM     28  C   LIG    1        4.219  -1.621   0.046  0.00  0.00    +0.037 C 
ENDBRANCH  20  22
ENDBRANCH   8  20
TORSDOF 3