REMARK  Name = BDB045988
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.809   0.617   2.175  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1       -3.689   0.502   1.360  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -2.916  -0.662   0.887  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1       -1.923  -0.198   0.034  0.00  0.00    -0.290 N 
ATOM      5  C   LIG    1       -1.869   1.250   0.004  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1       -3.104  -1.821   1.209  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -3.050   1.637   0.830  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -3.503   2.919   1.096  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -4.621   3.060   1.911  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -5.262   1.927   2.442  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -0.838  -1.057  -0.455  0.00  0.00    +0.079 C 
ATOM     12  C   LIG    1        0.276  -1.171   0.591  0.00  0.00    +0.038 C 
ATOM     13  C   LIG    1        1.565  -1.706  -0.028  0.00  0.00    +0.086 C 
ATOM     14  N   LIG    1        2.073  -0.904  -1.156  0.00  0.00    -0.299 NA
ATOM     15  C   LIG    1        1.079   0.013  -1.721  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1       -0.297  -0.644  -1.829  0.00  0.00    +0.038 C 
BRANCH  14  17
ATOM     17  C   LIG    1        3.407  -0.312  -0.900  0.00  0.00    +0.061 C 
ATOM     18  C   LIG    1        4.479  -1.421  -0.834  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1        5.864  -0.827  -0.612  0.00  0.00    +0.161 C 
ATOM     20  O   LIG    1        6.189   0.108  -1.637  0.00  0.00    -0.380 OA
ATOM     21  C   LIG    1        5.278   1.201  -1.670  0.00  0.00    +0.161 C 
ATOM     22  C   LIG    1        3.861   0.720  -1.954  0.00  0.00    +0.047 C 
ENDBRANCH  14  17
ENDBRANCH   4  11
BRANCH   1  26
ATOM     23  N   LIG    1       -5.356  -1.778   2.460  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1       -4.536  -2.077   1.935  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -5.849  -2.493   2.977  0.00  0.00    +0.145 HD
ATOM     26  C   LIG    1       -5.597  -0.484   2.801  0.00  0.00    +0.242 C 
ATOM     27  O   LIG    1       -6.479  -0.234   3.618  0.00  0.00    -0.270 OA
ENDBRANCH   1  26
TORSDOF 3