REMARK  Name = BDB025448
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.017  -0.486  -1.462  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1        6.178   0.177  -0.175  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1        5.196   0.047   0.803  0.00  0.00    +0.305 C 
ATOM      4  N   LIG    1        3.883   0.200   0.372  0.00  0.00    -0.279 N 
ATOM      5  C   LIG    1        2.856  -0.176   1.362  0.00  0.00    +0.166 C 
ATOM      6  C   LIG    1        1.502  -0.156   0.723  0.00  0.00    +0.086 A 
ATOM      7  N   LIG    1        0.417  -0.684   1.285  0.00  0.00    -0.165 NA
ATOM      8  N   LIG    1       -0.619  -0.377   0.435  0.00  0.00    -0.185 N 
ATOM      9  C   LIG    1       -0.114   0.188  -0.756  0.00  0.00    +0.126 A 
ATOM     10  C   LIG    1       -1.939  -0.625   0.897  0.00  0.00    +0.257 C 
ATOM     11  O   LIG    1       -2.099  -1.305   1.909  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1        1.224   0.418  -0.533  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1        2.289   1.028  -1.371  0.00  0.00    +0.059 C 
ATOM     14  C   LIG    1        3.533   1.328  -0.514  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1        5.472  -0.184   1.979  0.00  0.00    -0.252 OA
ATOM     16  C   LIG    1        7.548   0.272   0.297  0.00  0.00    +0.133 C 
ENDROOT
BRANCH  10  17
ATOM     17  C   LIG    1       -3.064   0.050   0.127  0.00  0.00    +0.113 C 
ATOM     18  C   LIG    1       -4.444  -0.572   0.360  0.00  0.00    -0.014 A 
ATOM     19  C   LIG    1       -5.581   0.249   0.480  0.00  0.00    +0.031 A 
ATOM     20  C   LIG    1       -6.830  -0.346   0.711  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1       -6.974  -1.733   0.733  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -5.863  -2.545   0.544  0.00  0.00    +0.000 A 
ATOM     23  N   LIG    1       -5.489   1.649   0.508  0.00  0.00    -0.344 N 
ATOM     24  H   LIG    1       -6.351   2.098   0.210  0.00  0.00    +0.146 HD
ATOM     25  C   LIG    1       -4.291   2.221  -0.079  0.00  0.00    +0.102 C 
ATOM     26  C   LIG    1       -4.607  -1.970   0.355  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1       -3.065   1.541   0.498  0.00  0.00    +0.036 C 
ENDBRANCH  10  17
BRANCH   9  28
ATOM     28  N   LIG    1       -0.816   0.439  -1.895  0.00  0.00    -0.343 N 
ATOM     29  H   LIG    1       -0.277   0.788  -2.689  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1       -1.428  -0.300  -2.244  0.00  0.00    +0.144 HD
ENDBRANCH   9  28
TORSDOF 2