REMARK  Name = BDB052868
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.036   1.132  -0.037  0.00  0.00    +0.191 C 
ATOM      2  C   LIG    1       -0.499   2.531  -0.447  0.00  0.00    +0.258 C 
ATOM      3  O   LIG    1       -1.019   2.859  -1.507  0.00  0.00    -0.272 OA
ATOM      4  N   LIG    1       -0.277   3.363   0.612  0.00  0.00    -0.245 N 
ATOM      5  C   LIG    1       -0.594   4.773   0.609  0.00  0.00    +0.141 C 
ATOM      6  C   LIG    1        0.346   2.671   1.579  0.00  0.00    +0.183 C 
ATOM      7  N   LIG    1        0.581   1.423   1.343  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1       -4.368  -0.927  -1.586  0.00  0.00    +0.047 C 
ATOM      9  C   LIG    1       -3.175  -0.958  -0.669  0.00  0.00    -0.008 A 
ATOM     10  C   LIG    1       -3.023  -1.985   0.276  0.00  0.00    +0.130 A 
ATOM     11  C   LIG    1       -1.885  -2.011   1.083  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -0.923  -1.001   0.979  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -1.068   0.060   0.068  0.00  0.00    -0.006 A 
ATOM     14  C   LIG    1       -2.199   0.051  -0.765  0.00  0.00    +0.013 A 
BRANCH  10  15
ATOM     15  O   LIG    1       -4.013  -2.930   0.303  0.00  0.00    -0.434 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -4.159  -3.643   1.519  0.00  0.00    +0.541 C 
ATOM     17  F   LIG    1       -5.366  -4.263   1.481  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1       -3.223  -4.622   1.576  0.00  0.00    -0.166 F 
ENDBRANCH  15  16
ENDBRANCH  10  15
ENDBRANCH   1  13
BRANCH   1  19
ATOM     19  C   LIG    1        1.163   0.647  -0.976  0.00  0.00    -0.003 A 
ATOM     20  C   LIG    1        2.351   0.094  -0.444  0.00  0.00    +0.055 A 
ATOM     21  C   LIG    1        3.364  -0.392  -1.274  0.00  0.00    +0.156 A 
ATOM     22  C   LIG    1        3.185  -0.319  -2.657  0.00  0.00    +0.165 A 
ATOM     23  F   LIG    1        4.138  -0.775  -3.484  0.00  0.00    -0.202 F 
ATOM     24  C   LIG    1        2.023   0.207  -3.210  0.00  0.00    +0.042 A 
ATOM     25  C   LIG    1        1.013   0.680  -2.374  0.00  0.00    +0.010 A 
BRANCH  21  26
ATOM     26  O   LIG    1        4.544  -0.948  -0.864  0.00  0.00    -0.483 OA
BRANCH  26  27
ATOM     27  C   LIG    1        4.773  -1.155   0.533  0.00  0.00    +0.301 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.122  -2.433   1.043  0.00  0.00    +0.378 C 
ATOM     29  F   LIG    1        2.885  -2.167   1.539  0.00  0.00    -0.206 F 
ATOM     30  F   LIG    1        4.844  -2.926   2.084  0.00  0.00    -0.206 F 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  21  26
ENDBRANCH   1  19
BRANCH   6  31
ATOM     31  N   LIG    1        0.710   3.246   2.749  0.00  0.00    -0.331 N 
ATOM     32  H   LIG    1        0.104   3.971   3.107  0.00  0.00    +0.145 HD
ATOM     33  H   LIG    1        0.960   2.559   3.454  0.00  0.00    +0.145 HD
ENDBRANCH   6  31
TORSDOF 8