REMARK  Name = BDB031284
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.545  -1.911   2.047  0.00  0.00    +0.222 C 
ATOM      2  N   LIG    1        1.231  -1.188   1.084  0.00  0.00    -0.285 N 
ATOM      3  H   LIG    1        0.823  -1.182   0.156  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.839  -1.997   3.236  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.385  -0.394   1.253  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        2.845   0.296   0.118  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1        3.970   1.075   0.266  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1        4.641   1.189   1.479  0.00  0.00    +0.067 A 
ATOM      9  N   LIG    1        5.723   2.041   1.293  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1        6.402   2.325   1.980  0.00  0.00    +0.170 HD
ATOM     11  C   LIG    1        5.736   2.468  -0.042  0.00  0.00    +0.325 A 
ATOM     12  O   LIG    1        6.541   3.222  -0.559  0.00  0.00    -0.247 OA
ATOM     13  C   LIG    1        4.222   0.529   2.606  0.00  0.00    +0.029 A 
ATOM     14  N   LIG    1        4.639   1.858  -0.669  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1        4.407   1.990  -1.639  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1        3.077  -0.272   2.482  0.00  0.00    +0.025 A 
ENDBRANCH   2   5
BRANCH   1  17
ATOM     17  C   LIG    1       -0.644  -2.684   1.489  0.00  0.00    +0.131 C 
BRANCH  17  21
ATOM     18  C   LIG    1       -3.367  -0.236  -0.828  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1       -3.165   0.014   0.535  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1       -2.292  -0.780   1.286  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -1.603  -1.839   0.685  0.00  0.00    -0.039 A 
ATOM     22  C   LIG    1       -1.814  -2.096  -0.674  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1       -2.687  -1.298  -1.424  0.00  0.00    +0.023 A 
BRANCH  18  26
ATOM     24  C   LIG    1       -5.602   1.641  -3.217  0.00  0.00    +0.109 C 
ATOM     25  C   LIG    1       -4.596   0.577  -2.854  0.00  0.00    +0.214 C 
ATOM     26  N   LIG    1       -4.258   0.615  -1.513  0.00  0.00    -0.286 N 
ATOM     27  H   LIG    1       -4.698   1.336  -0.956  0.00  0.00    +0.155 HD
ATOM     28  O   LIG    1       -4.181  -0.209  -3.699  0.00  0.00    -0.276 OA
ENDBRANCH  18  26
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 4