REMARK  Name = BDB056911
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.742  -0.897   1.587  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1       -2.919  -0.383   0.966  0.00  0.00    +0.065 A 
ATOM      3  C   LIG    1       -4.142  -1.006   1.238  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -5.442  -0.513   0.762  0.00  0.00    +0.196 A 
ATOM      5  C   LIG    1       -5.642  -0.153  -0.642  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -4.784   0.674  -1.350  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1       -3.598   1.341  -0.784  0.00  0.00    +0.257 A 
ATOM      8  O   LIG    1       -3.242   2.415  -1.271  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1       -5.089   0.971  -2.695  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -6.223   0.443  -3.314  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -7.082  -0.377  -2.594  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -6.797  -0.669  -1.261  0.00  0.00    +0.012 A 
ATOM     13  O   LIG    1       -6.409  -0.526   1.520  0.00  0.00    -0.287 OA
ATOM     14  C   LIG    1       -4.206  -2.127   2.085  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1       -3.057  -2.649   2.662  0.00  0.00    +0.002 A 
ATOM     16  N   LIG    1       -2.805   0.774   0.173  0.00  0.00    -0.321 N 
ATOM     17  H   LIG    1       -1.922   1.286   0.231  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1       -1.835  -2.035   2.416  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  21
ATOM     19  C   LIG    1        1.684  -0.070   1.547  0.00  0.00    +0.235 A 
ATOM     20  O   LIG    1        0.666  -0.904   1.928  0.00  0.00    -0.419 OA
ATOM     21  C   LIG    1       -0.429  -0.279   1.384  0.00  0.00    +0.250 A 
ATOM     22  N   LIG    1       -0.104   0.828   0.743  0.00  0.00    -0.107 NA
ATOM     23  N   LIG    1        1.262   0.965   0.848  0.00  0.00    -0.110 NA
BRANCH  19  24
ATOM     24  C   LIG    1        3.061  -0.430   1.962  0.00  0.00    +0.202 C 
BRANCH  24  27
ATOM     25  O   LIG    1        5.759  -1.055   1.929  0.00  0.00    -0.270 OA
ATOM     26  C   LIG    1        5.347  -0.236   1.115  0.00  0.00    +0.244 C 
ATOM     27  N   LIG    1        4.018   0.108   1.016  0.00  0.00    -0.303 N 
ATOM     28  H   LIG    1        3.759   0.960   0.532  0.00  0.00    +0.150 HD
BRANCH  26  29
ATOM     29  C   LIG    1        6.289   0.469   0.200  0.00  0.00    +0.037 A 
ATOM     30  C   LIG    1        5.875   1.015  -1.022  0.00  0.00    +0.013 A 
ATOM     31  C   LIG    1        6.797   1.666  -1.845  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        8.133   1.768  -1.456  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        8.553   1.212  -0.248  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1        7.635   0.560   0.577  0.00  0.00    +0.013 A 
ENDBRANCH  26  29
ENDBRANCH  24  27
ENDBRANCH  19  24
ENDBRANCH   1  21
TORSDOF 4