REMARK  Name = BDB053690
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.008   0.562  -0.462  0.00  0.00    +0.043 A 
ATOM      2  N   LIG    1       -1.138   1.950  -0.337  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1       -0.022   2.539  -0.943  0.00  0.00    +0.146 A 
ATOM      4  C   LIG    1        0.808   1.533  -1.429  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1        1.988   1.910  -2.103  0.00  0.00    +0.059 A 
ATOM      6  C   LIG    1        2.266   3.265  -2.207  0.00  0.00    +0.136 A 
ATOM      7  C   LIG    1        1.386   4.178  -1.653  0.00  0.00    +0.158 A 
ATOM      8  N   LIG    1        0.238   3.868  -1.012  0.00  0.00    -0.233 NA
ATOM      9  C   LIG    1        0.199   0.291  -1.109  0.00  0.00    +0.068 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        0.673  -1.043  -1.473  0.00  0.00    +0.249 C 
ATOM     11  N   LIG    1        1.933  -1.424  -1.003  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        2.494  -0.905   0.251  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        4.020  -1.093   0.319  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        4.433  -2.483   0.072  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        5.451  -2.537   0.054  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        3.898  -2.941  -1.220  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        2.372  -2.780  -1.333  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1       -0.010  -1.765  -2.196  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1       -2.208   2.682   0.277  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1       -2.845   2.212   1.433  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -3.885   2.942   2.018  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.294   4.150   1.460  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.659   4.634   0.320  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -2.619   3.908  -0.266  0.00  0.00    +0.026 A 
ENDBRANCH   2  19
BRANCH   6  25
ATOM     25  O   LIG    1        3.385   3.718  -2.838  0.00  0.00    -0.505 OA
ATOM     26  H   LIG    1        3.851   2.961  -3.233  0.00  0.00    +0.292 HD
ENDBRANCH   6  25
BRANCH   1  27
ATOM     27  C   LIG    1       -2.054  -0.460  -0.089  0.00  0.00    +0.090 C 
BRANCH  27  30
ATOM     28  C   LIG    1       -2.825  -3.364  -0.190  0.00  0.00    +0.047 C 
ATOM     29  C   LIG    1       -2.002  -2.806   0.938  0.00  0.00    -0.012 A 
ATOM     30  C   LIG    1       -1.615  -1.446   0.988  0.00  0.00    -0.036 A 
ATOM     31  C   LIG    1       -0.853  -1.006   2.091  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -0.453  -1.885   3.099  0.00  0.00    +0.003 A 
ATOM     33  C   LIG    1       -0.812  -3.224   3.027  0.00  0.00    +0.038 A 
ATOM     34  C   LIG    1       -1.577  -3.672   1.956  0.00  0.00    +0.127 A 
ATOM     35  F   LIG    1       -1.912  -4.970   1.916  0.00  0.00    -0.205 F 
ENDBRANCH  27  30
ENDBRANCH   1  27
TORSDOF 5