REMARK  Name = BDB030628
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.983  -1.369   0.059  0.00  0.00    +0.066 C 
ATOM      2  C   LIG    1       -1.272  -0.619  -1.048  0.00  0.00    +0.022 C 
ATOM      3  C   LIG    1        0.179  -0.273  -0.940  0.00  0.00    +0.112 C 
ATOM      4  N   LIG    1        0.860  -1.561  -0.899  0.00  0.00    -0.296 N 
ATOM      5  C   LIG    1        2.227  -1.784  -0.786  0.00  0.00    +0.267 C 
ATOM      6  O   LIG    1        2.670  -2.937  -0.799  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1       -0.034  -2.694  -1.085  0.00  0.00    +0.112 C 
ATOM      8  C   LIG    1       -1.400  -2.097  -1.135  0.00  0.00    +0.022 C 
ENDROOT
BRANCH   1  15
ATOM      9  N   LIG    1       -4.031  -0.104   0.624  0.00  0.00    -0.277 N 
ATOM     10  C   LIG    1       -5.454  -0.365   0.609  0.00  0.00    +0.201 C 
ATOM     11  C   LIG    1       -6.173   0.484  -0.433  0.00  0.00    +0.081 C 
ATOM     12  C   LIG    1       -6.084  -0.244   1.990  0.00  0.00    +0.081 C 
ATOM     13  O   LIG    1       -5.559  -1.753   0.194  0.00  0.00    -0.367 OA
ATOM     14  N   LIG    1       -4.232  -2.245  -0.057  0.00  0.00    -0.071 NA
ATOM     15  C   LIG    1       -3.438  -1.250   0.207  0.00  0.00    +0.144 C 
BRANCH   9  17
ATOM     16  C   LIG    1       -2.834   1.032   2.432  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1       -3.435   1.139   1.040  0.00  0.00    +0.107 C 
ENDBRANCH   9  17
ENDBRANCH   1  15
BRANCH   5  18
ATOM     18  C   LIG    1        3.162  -0.641  -0.651  0.00  0.00    +0.147 A 
ATOM     19  N   LIG    1        2.814   0.661  -0.640  0.00  0.00    -0.169 NA
ATOM     20  N   LIG    1        3.973   1.323  -0.505  0.00  0.00    -0.281 N 
ATOM     21  H   LIG    1        3.945   2.337  -0.475  0.00  0.00    +0.189 HD
ATOM     22  C   LIG    1        5.071   0.515  -0.423  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1        4.576  -0.766  -0.515  0.00  0.00    +0.057 A 
BRANCH  22  24
ATOM     24  C   LIG    1        6.470   1.025  -0.268  0.00  0.00    +0.031 C 
ATOM     25  C   LIG    1        6.639   1.799   1.039  0.00  0.00    +0.014 C 
ATOM     26  C   LIG    1        6.887   1.879  -1.466  0.00  0.00    +0.014 C 
ENDBRANCH  22  24
ENDBRANCH   5  18
TORSDOF 4