REMARK  Name = BDB027559
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.002   1.200   0.007  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.237   0.387  -0.806  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -1.181   0.664  -1.001  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.688  -0.495  -1.872  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -0.453  -0.804  -2.727  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.716  -0.593  -1.772  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        0.549   2.174   0.602  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        5.181   0.362   0.462  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        4.746   1.614   0.018  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        3.380   1.882  -0.126  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        2.441   0.888   0.156  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        2.860  -0.359   0.622  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        4.226  -0.619   0.768  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1        7.651   0.798   0.375  0.00  0.00    +0.217 C 
ATOM     15  N   LIG    1        6.536   0.015   0.636  0.00  0.00    -0.286 N 
ATOM     16  H   LIG    1        6.713  -0.918   0.987  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        7.652   1.937  -0.076  0.00  0.00    -0.275 OA
BRANCH  14  19
ATOM     18  C   LIG    1       10.178   0.891   0.449  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        8.936   0.059   0.717  0.00  0.00    +0.093 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1       -2.030  -1.681  -1.085  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1       -1.328  -1.964  -0.407  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.207  -1.583  -0.356  0.00  0.00    +0.216 A 
ATOM     23  N   LIG    1       -4.239  -0.867  -0.824  0.00  0.00    -0.214 NA
ATOM     24  C   LIG    1       -5.349  -0.792  -0.077  0.00  0.00    +0.077 A 
ATOM     25  C   LIG    1       -5.453  -1.423   1.164  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1       -6.628  -1.331   1.935  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -7.711  -0.592   1.462  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1       -7.614   0.053   0.226  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1       -4.329  -2.130   1.554  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -6.440  -0.064  -0.532  0.00  0.00    +0.041 A 
ATOM     31  N   LIG    1       -3.205  -2.219   0.820  0.00  0.00    -0.222 NA
BRANCH  28  32
ATOM     32  C   LIG    1       -8.735   0.851  -0.335  0.00  0.00    +0.242 C 
ATOM     33  O   LIG    1       -8.835   1.062  -1.536  0.00  0.00    -0.270 OA
ATOM     34  N   LIG    1       -9.638   1.377   0.547  0.00  0.00    -0.325 N 
ATOM     35  H   LIG    1       -9.430   1.483   1.529  0.00  0.00    +0.145 HD
ATOM     36  H   LIG    1      -10.309   2.022   0.148  0.00  0.00    +0.145 HD
ENDBRANCH  28  32
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 6