REMARK  Name = BDB059102
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.745  -2.513   2.307  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1       -3.357  -1.616   1.752  0.00  0.00    +0.228 C 
ATOM      3  C   LIG    1       -2.768  -0.526   0.815  0.00  0.00    +0.077 C 
ATOM      4  C   LIG    1       -2.186  -1.211  -0.431  0.00  0.00    +0.040 C 
ATOM      5  C   LIG    1       -1.019  -0.429  -1.025  0.00  0.00    +0.109 C 
ATOM      6  N   LIG    1        0.043  -0.192  -0.046  0.00  0.00    -0.301 N 
ATOM      7  C   LIG    1       -0.326  -0.283   1.374  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -1.724   0.288   1.590  0.00  0.00    +0.040 C 
ATOM      9  C   LIG    1       -4.007   0.290   0.502  0.00  0.00    -0.011 A 
ATOM     10  C   LIG    1       -5.111  -0.277   1.138  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1       -6.383   0.244   1.033  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1       -6.543   1.389   0.251  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -5.441   1.977  -0.396  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -4.160   1.428  -0.273  0.00  0.00    +0.006 A 
ATOM     15  N   LIG    1       -4.722  -1.392   1.859  0.00  0.00    -0.284 N 
ATOM     16  H   LIG    1       -5.327  -1.971   2.421  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   6  17
ATOM     17  C   LIG    1        1.379  -0.068  -0.387  0.00  0.00    +0.198 A 
ATOM     18  N   LIG    1        1.692   0.211  -1.690  0.00  0.00    -0.295 N 
ATOM     19  H   LIG    1        0.970   0.375  -2.367  0.00  0.00    +0.172 HD
ATOM     20  C   LIG    1        2.964   0.393  -2.143  0.00  0.00    +0.256 A 
ATOM     21  O   LIG    1        3.202   0.700  -3.306  0.00  0.00    -0.267 OA
ATOM     22  C   LIG    1        4.025   0.205  -1.139  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1        5.451   0.329  -1.579  0.00  0.00    +0.042 C 
ATOM     24  C   LIG    1        6.440  -0.199  -0.537  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        6.043   0.241   0.867  0.00  0.00    +0.006 C 
ATOM     26  C   LIG    1        4.640  -0.257   1.224  0.00  0.00    +0.056 C 
ATOM     27  C   LIG    1        3.630  -0.071   0.115  0.00  0.00    +0.053 A 
ATOM     28  N   LIG    1        2.319  -0.197   0.502  0.00  0.00    -0.220 NA
ENDBRANCH   6  17
TORSDOF 1