REMARK  Name = BDB053776
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.792  -3.193  -0.140  0.00  0.00    +0.065 A 
ATOM      2  C   LIG    1       -1.132  -1.978   0.159  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1        0.254  -1.946   0.355  0.00  0.00    +0.019 A 
ATOM      4  C   LIG    1        0.601  -0.652   0.847  0.00  0.00    +0.106 A 
ATOM      5  C   LIG    1       -0.559   0.107   0.896  0.00  0.00    +0.219 A 
ATOM      6  C   LIG    1        1.011  -3.104   0.123  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        0.325  -4.224  -0.291  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1       -1.596  -0.677   0.386  0.00  0.00    -0.278 N 
ATOM      9  N   LIG    1       -1.011  -4.279  -0.423  0.00  0.00    -0.258 NA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1        1.919  -0.234   1.295  0.00  0.00    +0.252 C 
ATOM     11  N   LIG    1        2.879  -0.005   0.315  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        4.216   0.414   0.734  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        5.276   0.096  -0.334  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        5.010   0.678  -1.661  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        5.369   0.044  -2.375  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        3.579   0.936  -1.886  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        2.623  -0.001  -1.129  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        2.161  -0.122   2.495  0.00  0.00    -0.270 OA
ENDBRANCH   4  10
BRANCH   8  19
ATOM     19  C   LIG    1       -2.876  -0.161   0.020  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -3.410  -0.464  -1.240  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -4.644   0.067  -1.619  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -5.341   0.905  -0.750  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.804   1.220   0.498  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.570   0.695   0.884  0.00  0.00    +0.026 A 
ENDBRANCH   8  19
BRANCH   1  26
ATOM     25  C   LIG    1       -3.685  -4.788   0.410  0.00  0.00    +0.010 C 
ATOM     26  C   LIG    1       -3.283  -3.428  -0.151  0.00  0.00    +0.054 C 
ENDBRANCH   1  26
BRANCH   5  27
ATOM     27  O   LIG    1       -0.798   1.379   1.252  0.00  0.00    -0.438 OA
BRANCH  27  28
ATOM     28  C   LIG    1        0.141   2.356   1.029  0.00  0.00    +0.136 A 
ATOM     29  C   LIG    1        0.238   2.987  -0.224  0.00  0.00    -0.008 A 
ATOM     30  C   LIG    1       -0.669   2.615  -1.361  0.00  0.00    +0.047 C 
ATOM     31  C   LIG    1        1.200   3.994  -0.397  0.00  0.00    +0.010 A 
ATOM     32  C   LIG    1        2.018   4.380   0.665  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1        1.870   3.770   1.905  0.00  0.00    +0.127 A 
ATOM     34  F   LIG    1        2.648   4.158   2.925  0.00  0.00    -0.205 F 
ATOM     35  C   LIG    1        0.930   2.769   2.102  0.00  0.00    +0.085 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 5