REMARK  Name = BDB052827
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.251  -0.871   0.544  0.00  0.00    +0.037 A 
ATOM      2  N   LIG    1       -0.959  -1.612  -0.392  0.00  0.00    -0.340 N 
ATOM      3  C   LIG    1       -0.070  -2.252  -1.250  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        1.221  -1.872  -0.874  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        2.327  -2.393  -1.581  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        2.122  -3.268  -2.649  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        0.834  -3.635  -3.015  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.276  -3.139  -2.325  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1        1.101  -0.991   0.237  0.00  0.00    +0.066 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        2.181  -0.354   0.983  0.00  0.00    +0.249 C 
ATOM     11  N   LIG    1        2.814   0.720   0.369  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        2.415   1.286  -0.925  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        3.061   2.658  -1.198  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        2.990   3.557  -0.035  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        2.001   3.697   0.185  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        3.613   2.935   1.154  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        3.890   1.420   1.062  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        2.477  -0.748   2.108  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1       -2.419  -1.747  -0.448  0.00  0.00    +0.092 C 
ATOM     20  C   LIG    1       -3.034  -1.298  -1.787  0.00  0.00    +0.053 C 
ATOM     21  C   LIG    1       -4.273  -2.114  -2.126  0.00  0.00    +0.162 C 
ATOM     22  O   LIG    1       -5.035  -2.325  -0.943  0.00  0.00    -0.380 OA
ATOM     23  C   LIG    1       -4.412  -3.225  -0.027  0.00  0.00    +0.162 C 
ATOM     24  C   LIG    1       -2.888  -3.142  -0.027  0.00  0.00    +0.053 C 
ENDBRANCH   2  19
BRANCH   1  25
ATOM     25  C   LIG    1       -0.849  -0.098   1.695  0.00  0.00    +0.089 C 
BRANCH  25  28
ATOM     26  C   LIG    1        0.344   1.788   3.748  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -0.264   2.285   2.465  0.00  0.00    -0.012 A 
ATOM     28  C   LIG    1       -0.813   1.411   1.499  0.00  0.00    -0.036 A 
ATOM     29  C   LIG    1       -1.382   1.967   0.335  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -1.382   3.345   0.109  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -0.820   4.196   1.051  0.00  0.00    +0.038 A 
ATOM     32  C   LIG    1       -0.272   3.665   2.213  0.00  0.00    +0.127 A 
ATOM     33  F   LIG    1        0.263   4.512   3.105  0.00  0.00    -0.205 F 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 4