REMARK  Name = BDB030637
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.921  -0.492  -1.834  0.00  0.00    +0.018 C 
ATOM      2  C   LIG    1       -2.341   0.366  -0.662  0.00  0.00    +0.019 C 
ATOM      3  C   LIG    1       -1.377   0.584   0.507  0.00  0.00    +0.024 C 
ATOM      4  C   LIG    1        0.086   0.267   0.457  0.00  0.00    +0.113 C 
ATOM      5  N   LIG    1        0.635   1.190  -0.526  0.00  0.00    -0.296 N 
ATOM      6  C   LIG    1        1.956   1.286  -0.945  0.00  0.00    +0.267 C 
ATOM      7  O   LIG    1        2.279   2.129  -1.786  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -0.354   2.105  -1.073  0.00  0.00    +0.113 C 
ATOM      9  C   LIG    1       -1.643   1.709  -0.433  0.00  0.00    +0.024 C 
ENDROOT
BRANCH   2  10
ATOM     10  C   LIG    1       -3.790   0.308  -0.327  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1       -4.358  -0.777   0.512  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -5.773  -0.352   0.493  0.00  0.00    +0.144 C 
ATOM     13  C   LIG    1       -6.673  -0.512   1.687  0.00  0.00    +0.055 C 
ATOM     14  C   LIG    1       -6.905  -1.340   0.453  0.00  0.00    +0.055 C 
ATOM     15  O   LIG    1       -5.917   0.854  -0.289  0.00  0.00    -0.387 OA
ATOM     16  N   LIG    1       -4.622   1.193  -0.772  0.00  0.00    -0.093 NA
ENDBRANCH   2  10
BRANCH   6  17
ATOM     17  C   LIG    1        2.986   0.378  -0.384  0.00  0.00    +0.147 A 
ATOM     18  N   LIG    1        2.766  -0.578   0.545  0.00  0.00    -0.169 NA
ATOM     19  N   LIG    1        3.971  -1.139   0.745  0.00  0.00    -0.281 N 
ATOM     20  H   LIG    1        4.050  -1.897   1.414  0.00  0.00    +0.189 HD
ATOM     21  C   LIG    1        4.958  -0.585  -0.006  0.00  0.00    +0.040 A 
ATOM     22  C   LIG    1        4.364   0.394  -0.756  0.00  0.00    +0.057 A 
BRANCH  21  23
ATOM     23  C   LIG    1        6.442  -1.002  -0.027  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1        7.494   0.035   0.261  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1        7.208  -1.040   1.268  0.00  0.00    +0.010 C 
ENDBRANCH  21  23
ENDBRANCH   6  17
TORSDOF 3