REMARK  Name = BDB049808
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.482  -0.907   0.853  0.00  0.00    +0.096 C 
ATOM      2  N   LIG    1       -1.794  -1.304   0.304  0.00  0.00    -0.261 N 
ATOM      3  C   LIG    1       -3.008  -0.845   0.788  0.00  0.00    +0.404 C 
ATOM      4  O   LIG    1       -4.086  -1.184   0.316  0.00  0.00    -0.226 OA
ATOM      5  C   LIG    1       -1.824  -2.154  -0.886  0.00  0.00    +0.130 C 
ATOM      6  C   LIG    1       -0.459  -2.697  -1.303  0.00  0.00    +0.127 C 
ATOM      7  N   LIG    1        0.545  -1.636  -1.377  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1        1.275  -1.474  -2.560  0.00  0.00    +0.282 C 
ATOM      9  O   LIG    1        1.066  -2.203  -3.532  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1        0.556  -0.664  -0.276  0.00  0.00    +0.130 C 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.282  -0.421  -2.663  0.00  0.00    +0.195 A 
ATOM     12  N   LIG    1        2.891  -0.127  -3.863  0.00  0.00    -0.334 N 
ATOM     13  H   LIG    1        2.688  -0.605  -4.730  0.00  0.00    +0.168 HD
ATOM     14  C   LIG    1        3.792   0.884  -3.673  0.00  0.00    +0.067 A 
ATOM     15  C   LIG    1        3.707   1.174  -2.313  0.00  0.00    +0.102 A 
ATOM     16  C   LIG    1        4.529   2.191  -1.784  0.00  0.00    +0.064 A 
ATOM     17  C   LIG    1        5.399   2.874  -2.657  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        5.455   2.555  -4.018  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1        4.647   1.550  -4.557  0.00  0.00    +0.028 A 
ATOM     20  N   LIG    1        2.766   0.354  -1.706  0.00  0.00    -0.223 NA
BRANCH  16  21
ATOM     21  C   LIG    1        4.506   2.569  -0.351  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1        5.195   3.483   0.085  0.00  0.00    -0.270 OA
ATOM     23  N   LIG    1        3.686   1.856   0.473  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1        3.099   1.112   0.108  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1        3.634   2.114   1.448  0.00  0.00    +0.145 HD
ENDBRANCH  16  21
ENDBRANCH   8  11
BRANCH   1  27
ATOM     26  C   LIG    1       -0.817  -2.010   3.151  0.00  0.00    +0.006 C 
ATOM     27  C   LIG    1        0.046  -1.916   1.900  0.00  0.00    +0.021 C 
ENDBRANCH   1  27
BRANCH   3  28
ATOM     28  O   LIG    1       -2.860   0.018   1.824  0.00  0.00    -0.445 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -4.013   0.618   2.468  0.00  0.00    +0.107 C 
ATOM     30  C   LIG    1       -4.868  -0.444   3.168  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1       -4.834   1.463   1.485  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -3.420   1.553   3.534  0.00  0.00    +0.055 C 
ENDBRANCH  28  29
ENDBRANCH   3  28
TORSDOF 5