REMARK  Name = BDB003828
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.361  -0.288  -1.034  0.00  0.00    -0.299 N 
ATOM      2  C   LIG    1       -2.467   0.431  -0.410  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1       -3.692  -0.515  -0.548  0.00  0.00    +0.064 C 
ATOM      4  C   LIG    1       -4.054  -1.099   0.822  0.00  0.00    +0.227 C 
ATOM      5  O   LIG    1       -3.220  -1.332   1.694  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -5.338  -1.534   1.004  0.00  0.00    -0.256 N 
ATOM      7  H   LIG    1       -5.279  -2.158   1.807  0.00  0.00    +0.157 HD
ATOM      8  C   LIG    1       -6.248  -0.606   1.428  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -6.732  -0.697   2.555  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -6.719   0.442   0.446  0.00  0.00    +0.096 C 
ATOM     11  C   LIG    1       -5.625   1.150  -0.337  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1       -4.869   0.186  -1.247  0.00  0.00    +0.018 C 
ATOM     13  C   LIG    1       -3.171  -1.669  -1.438  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -1.668  -1.696  -1.175  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   1  18
ATOM     15  C   LIG    1        2.476   0.792  -0.006  0.00  0.00    +0.095 A 
ATOM     16  C   LIG    1        1.407   1.643   0.124  0.00  0.00    +0.131 A 
ATOM     17  N   LIG    1        0.138   1.306  -0.203  0.00  0.00    -0.222 NA
ATOM     18  C   LIG    1       -0.080   0.065  -0.673  0.00  0.00    +0.218 A 
ATOM     19  N   LIG    1        0.912  -0.829  -0.841  0.00  0.00    -0.222 NA
ATOM     20  C   LIG    1        2.166  -0.451  -0.501  0.00  0.00    +0.131 A 
BRANCH  15  21
ATOM     21  C   LIG    1        3.827   1.231   0.369  0.00  0.00    +0.343 C 
ATOM     22  O   LIG    1        4.063   2.347   0.797  0.00  0.00    -0.245 OA
BRANCH  21  23
ATOM     23  O   LIG    1        4.713   0.229   0.167  0.00  0.00    -0.455 OA
BRANCH  23  25
ATOM     24  C   LIG    1        6.343   0.682   1.957  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1        6.122   0.413   0.465  0.00  0.00    +0.106 C 
ATOM     26  C   LIG    1        6.775  -0.930   0.105  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1        6.737   1.509  -0.412  0.00  0.00    +0.055 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH   1  18
TORSDOF 4