REMARK  Name = BDB054877
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.386   2.062   0.930  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.316   2.360   0.078  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        0.598   3.384   0.379  0.00  0.00    -0.029 A 
ATOM      4  C   LIG    1        0.412   4.130   1.547  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1       -0.665   3.855   2.390  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.557   2.822   2.086  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -3.262   0.438   1.266  0.00  0.00    +0.249 C 
ATOM      8  N   LIG    1       -2.206   0.977   0.560  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1       -1.953   0.524  -0.315  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -3.724   0.854   2.322  0.00  0.00    -0.270 OA
BRANCH   7  18
ATOM     11  C   LIG    1       -1.849  -2.107  -0.342  0.00  0.00    +0.167 A 
ATOM     12  C   LIG    1       -3.192  -1.764  -0.020  0.00  0.00    +0.075 A 
ATOM     13  C   LIG    1       -3.922  -2.811  -0.565  0.00  0.00    +0.170 A 
ATOM     14  C   LIG    1       -5.306  -2.948  -0.485  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1       -5.993  -1.950   0.207  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -5.308  -0.870   0.768  0.00  0.00    +0.014 A 
ATOM     17  O   LIG    1       -3.081  -3.679  -1.184  0.00  0.00    -0.353 OA
ATOM     18  C   LIG    1       -3.907  -0.748   0.651  0.00  0.00    +0.051 A 
ATOM     19  N   LIG    1       -1.781  -3.234  -1.053  0.00  0.00    -0.062 NA
BRANCH  11  20
ATOM     20  N   LIG    1       -0.761  -1.391   0.009  0.00  0.00    -0.340 N 
ATOM     21  H   LIG    1       -0.766  -0.868   0.882  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1        0.133  -1.856  -0.133  0.00  0.00    +0.144 HD
ENDBRANCH  11  20
ENDBRANCH   7  18
ENDBRANCH   1   8
BRANCH   3  23
ATOM     23  C   LIG    1        1.789   3.620  -0.516  0.00  0.00    +0.141 C 
BRANCH  23  24
ATOM     24  N   LIG    1        2.816   2.626  -0.272  0.00  0.00    -0.295 N 
ATOM     25  H   LIG    1        3.111   2.548   0.689  0.00  0.00    +0.151 HD
ATOM     26  C   LIG    1        2.826   1.447  -0.991  0.00  0.00    +0.304 C 
ATOM     27  N   LIG    1        3.755   0.569  -0.476  0.00  0.00    -0.269 N 
ATOM     28  H   LIG    1        4.459   0.985   0.114  0.00  0.00    +0.156 HD
ATOM     29  O   LIG    1        2.089   1.247  -1.947  0.00  0.00    -0.252 OA
BRANCH  27  30
ATOM     30  C   LIG    1        3.934  -0.785  -0.822  0.00  0.00    +0.035 A 
ATOM     31  C   LIG    1        5.045  -1.445  -0.279  0.00  0.00    +0.026 A 
ATOM     32  C   LIG    1        5.276  -2.795  -0.558  0.00  0.00    +0.040 A 
ATOM     33  C   LIG    1        4.391  -3.485  -1.376  0.00  0.00    +0.124 A 
ATOM     34  F   LIG    1        4.611  -4.779  -1.641  0.00  0.00    -0.205 F 
ATOM     35  C   LIG    1        3.282  -2.851  -1.918  0.00  0.00    +0.040 A 
ATOM     36  C   LIG    1        3.052  -1.500  -1.641  0.00  0.00    +0.026 A 
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 6