REMARK  Name = BDB030623
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.861  -0.653   0.261  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1        2.236  -1.785  -0.527  0.00  0.00    +0.021 C 
ATOM      3  C   LIG    1        0.940  -2.396  -0.110  0.00  0.00    +0.112 C 
ATOM      4  N   LIG    1       -0.032  -1.318  -0.225  0.00  0.00    -0.296 N 
ATOM      5  C   LIG    1       -1.357  -1.558   0.119  0.00  0.00    +0.267 C 
ATOM      6  O   LIG    1       -1.691  -2.661   0.561  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1        0.522  -0.096  -0.793  0.00  0.00    +0.112 C 
ATOM      8  C   LIG    1        1.985  -0.380  -0.945  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1        7.337   1.467   0.155  0.00  0.00    +0.055 C 
ATOM     10  C   LIG    1        6.254   0.548  -0.375  0.00  0.00    +0.207 C 
ATOM     11  O   LIG    1        6.441  -0.773   0.158  0.00  0.00    -0.390 OA
ATOM     12  N   LIG    1        5.161  -1.377   0.254  0.00  0.00    -0.093 NA
ATOM     13  C   LIG    1        4.306  -0.413   0.180  0.00  0.00    +0.065 C 
ATOM     14  C   LIG    1        4.865   0.950   0.066  0.00  0.00    +0.101 C 
ENDBRANCH   1  13
BRANCH   5  15
ATOM     15  C   LIG    1       -2.375  -0.493  -0.044  0.00  0.00    +0.147 A 
ATOM     16  N   LIG    1       -2.148   0.741  -0.535  0.00  0.00    -0.169 NA
ATOM     17  N   LIG    1       -3.344   1.349  -0.500  0.00  0.00    -0.281 N 
ATOM     18  H   LIG    1       -3.405   2.306  -0.831  0.00  0.00    +0.189 HD
ATOM     19  C   LIG    1       -4.351   0.569  -0.007  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1       -3.752  -0.634   0.297  0.00  0.00    +0.057 A 
BRANCH  19  21
ATOM     21  C   LIG    1       -5.761   1.056   0.116  0.00  0.00    +0.031 C 
ATOM     22  C   LIG    1       -6.705   0.221  -0.748  0.00  0.00    +0.014 C 
ATOM     23  C   LIG    1       -6.216   1.052   1.575  0.00  0.00    +0.014 C 
ENDBRANCH  19  21
ENDBRANCH   5  15
TORSDOF 3