REMARK  Name = BDB028110
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.313   0.919   0.018  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.343   1.532   0.805  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.475   2.074   1.885  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.071   1.426   0.085  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -2.326   0.858  -1.159  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -1.292   0.640  -2.051  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.003   1.005  -1.661  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        0.257   1.595  -0.399  0.00  0.00    -0.030 A 
ATOM      9  C   LIG    1       -0.805   1.804   0.493  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1       -3.787   0.601  -1.310  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -6.976  -2.870   0.773  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -6.719  -1.671   0.706  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -7.061  -0.941  -0.404  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -7.537  -1.455  -1.133  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -6.604   0.307  -0.753  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -6.765   0.723  -1.901  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -5.750   1.050   0.288  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -6.160   0.559   1.682  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -5.963  -0.945   1.791  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  C   LIG    1        1.665   1.958  -0.009  0.00  0.00    +0.141 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.388   0.787   0.430  0.00  0.00    -0.295 N 
ATOM     22  H   LIG    1        1.895   0.166   1.054  0.00  0.00    +0.151 HD
ATOM     23  C   LIG    1        3.733   0.886   0.678  0.00  0.00    +0.300 C 
ATOM     24  N   LIG    1        4.226  -0.285   1.190  0.00  0.00    -0.295 N 
ATOM     25  H   LIG    1        3.726  -1.113   0.905  0.00  0.00    +0.151 HD
ATOM     26  O   LIG    1        4.395   1.893   0.471  0.00  0.00    -0.253 OA
BRANCH  24  27
ATOM     27  C   LIG    1        5.644  -0.453   1.420  0.00  0.00    +0.141 C 
BRANCH  27  28
ATOM     28  C   LIG    1        6.302  -1.161   0.263  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        6.527  -2.544   0.303  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        7.117  -3.196  -0.781  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        7.482  -2.475  -1.917  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        7.254  -1.101  -1.971  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        6.665  -0.447  -0.888  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 5