REMARK  Name = BDB012277
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.888  -0.113   0.605  0.00  0.00    -0.182 N 
ATOM      2  C   LIG    1        0.596   1.229   0.872  0.00  0.00    +0.217 A 
ATOM      3  C   LIG    1       -0.727   1.275   1.249  0.00  0.00    +0.092 A 
ATOM      4  C   LIG    1       -1.188  -0.055   1.187  0.00  0.00    +0.071 A 
ATOM      5  N   LIG    1       -0.215  -0.894   0.823  0.00  0.00    -0.167 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        4.420  -0.626  -0.496  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        3.257   0.028  -0.071  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1        2.116  -0.727   0.167  0.00  0.00    +0.158 A 
ATOM      9  N   LIG    1        2.116  -2.081  -0.007  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1        3.250  -2.684  -0.417  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1        4.421  -2.007  -0.673  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        5.718   1.397  -0.615  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        5.631   0.191  -0.746  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        6.681  -0.546  -1.151  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        7.396   0.113  -1.276  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  O   LIG    1        1.474   2.223   0.760  0.00  0.00    -0.492 OA
ATOM     17  H   LIG    1        1.012   3.053   0.981  0.00  0.00    +0.294 HD
ENDBRANCH   2  16
BRANCH   4  18
ATOM     18  C   LIG    1       -2.552  -0.579   1.501  0.00  0.00    +0.092 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.477  -0.046   0.431  0.00  0.00    -0.042 A 
ATOM     20  C   LIG    1       -4.393   0.977   0.722  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -5.248   1.464  -0.268  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -5.200   0.934  -1.557  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.298  -0.084  -1.858  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.443  -0.574  -0.870  0.00  0.00    +0.004 A 
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 6