REMARK  Name = BDB012766
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.734  -1.776   0.476  0.00  0.00    +0.092 C 
ATOM      2  C   LIG    1        1.506  -0.881   0.255  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        0.402  -1.805   0.008  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -0.942  -1.571   0.265  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -1.722  -2.507   0.429  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.890  -3.173  -0.060  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1        2.380  -3.034  -0.319  0.00  0.00    +0.043 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -1.380  -0.201   0.337  0.00  0.00    +0.121 A 
ATOM      9  N   LIG    1       -0.969   0.815  -0.477  0.00  0.00    -0.272 N 
ATOM     10  H   LIG    1       -0.324   0.760  -1.256  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1       -1.502   2.011  -0.182  0.00  0.00    -0.178 NA
ATOM     12  C   LIG    1       -2.396   1.735   0.780  0.00  0.00    +0.068 A 
ATOM     13  C   LIG    1       -2.356   0.364   1.134  0.00  0.00    +0.057 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -3.247   2.814   1.367  0.00  0.00    +0.092 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.641   2.609   0.822  0.00  0.00    -0.042 A 
ATOM     16  C   LIG    1       -5.635   2.007   1.609  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -6.923   1.822   1.103  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -7.232   2.235  -0.192  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -6.254   2.834  -0.983  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.966   3.020  -0.480  0.00  0.00    +0.004 A 
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH   4   8
BRANCH   1  23
ATOM     21  O   LIG    1        5.292  -2.545   1.341  0.00  0.00    -0.276 OA
ATOM     22  C   LIG    1        5.188  -1.669   0.493  0.00  0.00    +0.216 C 
ATOM     23  N   LIG    1        3.982  -1.178   0.046  0.00  0.00    -0.311 N 
ATOM     24  H   LIG    1        3.989  -0.593  -0.777  0.00  0.00    +0.149 HD
BRANCH  22  25
ATOM     25  C   LIG    1        6.417  -1.095  -0.123  0.00  0.00    +0.075 C 
ATOM     26  C   LIG    1        6.484   0.301  -0.695  0.00  0.00    +0.013 C 
ATOM     27  C   LIG    1        6.534  -0.885  -1.615  0.00  0.00    +0.013 C 
ENDBRANCH  22  25
ENDBRANCH   1  23
TORSDOF 5