REMARK  Name = BDB000110
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.600   1.794   0.679  0.00  0.00    -0.297 N 
ATOM      2  H   LIG    1       -4.964   2.553   1.244  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1       -3.241   1.810   0.797  0.00  0.00    +0.303 C 
ATOM      4  N   LIG    1       -2.552   0.723   0.346  0.00  0.00    -0.275 N 
ATOM      5  C   LIG    1       -1.075   0.720   0.483  0.00  0.00    +0.150 C 
ATOM      6  C   LIG    1       -0.764  -0.693   0.247  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1       -1.921  -1.450   0.088  0.00  0.00    +0.087 A 
ATOM      8  N   LIG    1       -1.699  -2.740  -0.132  0.00  0.00    -0.175 NA
ATOM      9  N   LIG    1       -0.339  -2.798  -0.101  0.00  0.00    -0.263 N 
ATOM     10  H   LIG    1        0.134  -3.689  -0.233  0.00  0.00    +0.190 HD
ATOM     11  C   LIG    1        0.270  -1.574   0.124  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1       -3.145  -0.638   0.183  0.00  0.00    +0.167 C 
ATOM     13  O   LIG    1       -2.702   2.775   1.334  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  11  14
ATOM     14  N   LIG    1        1.635  -1.381   0.196  0.00  0.00    -0.266 N 
ATOM     15  H   LIG    1        1.968  -0.449   0.405  0.00  0.00    +0.157 HD
ATOM     16  C   LIG    1        2.521  -2.438   0.070  0.00  0.00    +0.249 C 
ATOM     17  O   LIG    1        2.191  -3.612  -0.081  0.00  0.00    -0.270 OA
BRANCH  16  18
ATOM     18  C   LIG    1        3.967  -2.090   0.158  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        4.456  -0.850  -0.278  0.00  0.00    +0.062 A 
ATOM     20  C   LIG    1        5.811  -0.622  -0.158  0.00  0.00    +0.167 A 
ATOM     21  O   LIG    1        6.455   0.518  -0.526  0.00  0.00    -0.453 OA
ATOM     22  C   LIG    1        7.818   0.184  -0.185  0.00  0.00    +0.466 C 
ATOM     23  O   LIG    1        7.958  -1.135   0.382  0.00  0.00    -0.453 OA
ATOM     24  C   LIG    1        6.669  -1.565   0.357  0.00  0.00    +0.166 A 
ATOM     25  C   LIG    1        6.223  -2.798   0.780  0.00  0.00    +0.050 A 
ATOM     26  C   LIG    1        4.854  -3.063   0.673  0.00  0.00    +0.017 A 
ENDBRANCH  16  18
ENDBRANCH  11  14
BRANCH   1  28
ATOM     27  C   LIG    1       -6.657   1.175  -0.485  0.00  0.00    +0.027 C 
ATOM     28  C   LIG    1       -5.251   1.744  -0.631  0.00  0.00    +0.068 C 
ATOM     29  C   LIG    1       -5.292   3.138  -1.263  0.00  0.00    +0.027 C 
ENDBRANCH   1  28
TORSDOF 3