REMARK  Name = BDB045992
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.335   0.568  -1.306  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1        3.247  -0.248  -1.016  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        1.919   0.028  -0.431  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1        1.244  -1.178  -0.323  0.00  0.00    -0.290 N 
ATOM      5  C   LIG    1        1.985  -2.273  -0.909  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1        1.503   1.125  -0.111  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        3.270  -1.626  -1.298  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1        4.373  -2.233  -1.877  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        5.473  -1.438  -2.178  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        5.453  -0.061  -1.897  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -0.159  -1.339   0.066  0.00  0.00    +0.079 C 
ATOM     12  C   LIG    1       -1.112  -0.880  -1.043  0.00  0.00    +0.038 C 
ATOM     13  C   LIG    1       -2.533  -0.791  -0.491  0.00  0.00    +0.086 C 
ATOM     14  N   LIG    1       -2.671   0.226   0.557  0.00  0.00    -0.302 NA
ATOM     15  C   LIG    1       -1.424   0.510   1.280  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1       -0.498  -0.699   1.423  0.00  0.00    +0.038 C 
BRANCH  14  17
ATOM     17  C   LIG    1       -3.817  -0.057   1.425  0.00  0.00    +0.088 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -4.309   1.204   2.078  0.00  0.00    +0.003 C 
ATOM     19  C   LIG    1       -5.006   2.267   1.265  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1       -5.789   1.448   2.252  0.00  0.00    +0.005 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   4  11
BRANCH   1  24
ATOM     21  N   LIG    1        3.512   2.703  -0.368  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1        3.599   3.708  -0.302  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1        2.606   2.304  -0.125  0.00  0.00    +0.145 HD
ATOM     24  C   LIG    1        4.468   2.033  -1.063  0.00  0.00    +0.242 C 
ATOM     25  O   LIG    1        5.446   2.649  -1.479  0.00  0.00    -0.270 OA
ENDBRANCH   1  24
TORSDOF 4