REMARK  Name = BDB012294
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.108  -2.001   0.404  0.00  0.00    -0.214 N 
ATOM      2  C   LIG    1        1.230  -1.668   0.157  0.00  0.00    +0.076 A 
ATOM      3  C   LIG    1        1.906  -2.871   0.048  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        0.960  -3.859   0.330  0.00  0.00    +0.135 A 
ATOM      5  N   LIG    1       -0.240  -3.351   0.589  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -2.479   0.863   0.023  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -1.300   0.113  -0.060  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1       -1.288  -1.173   0.465  0.00  0.00    +0.155 A 
ATOM      9  N   LIG    1       -2.407  -1.716   1.026  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1       -3.529  -0.971   1.094  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1       -3.615   0.318   0.616  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1       -1.548   2.765  -1.116  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1       -2.481   2.230  -0.547  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -3.654   2.863  -0.378  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -3.512   3.739  -0.796  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  C   LIG    1        1.816  -0.332   0.121  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        1.815   0.475   1.266  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        2.380   1.751   1.228  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        2.957   2.223   0.051  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        2.979   1.419  -1.087  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        2.417   0.142  -1.052  0.00  0.00    +0.010 A 
ENDBRANCH   2  16
TORSDOF 4