REMARK  Name = BDB064489
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.319  -1.498  -1.826  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   7
ATOM      2  C   LIG    1       -2.956  -2.029   1.987  0.00  0.00    +0.047 C 
ATOM      3  C   LIG    1       -2.677  -1.648   0.561  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1       -3.701  -1.197  -0.281  0.00  0.00    +0.125 A 
ATOM      5  C   LIG    1       -3.445  -0.904  -1.619  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.143  -0.989  -2.114  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -1.091  -1.395  -1.281  0.00  0.00    -0.033 A 
ATOM      8  C   LIG    1       -1.371  -1.728   0.053  0.00  0.00    +0.011 A 
BRANCH   4   9
ATOM      9  O   LIG    1       -4.979  -1.142   0.195  0.00  0.00    -0.475 OA
BRANCH   9  10
ATOM     10  C   LIG    1       -5.524   0.158   0.522  0.00  0.00    +0.200 C 
ATOM     11  C   LIG    1       -6.562   0.487  -0.558  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -4.505   1.301   0.681  0.00  0.00    +0.067 C 
BRANCH  10  13
ATOM     13  C   LIG    1       -6.247  -0.028   1.880  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1       -6.188  -1.032   2.579  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -6.978   1.042   2.290  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -6.983   1.811   1.694  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   4   9
ENDBRANCH   1   7
BRANCH   1  17
ATOM     17  N   LIG    1        0.858  -0.205  -2.276  0.00  0.00    -0.295 NA
ATOM     18  C   LIG    1        1.020   0.735  -1.138  0.00  0.00    +0.103 C 
ATOM     19  C   LIG    1        2.220   1.695  -1.286  0.00  0.00    +0.120 C 
ATOM     20  N   LIG    1        3.486   0.937  -1.352  0.00  0.00    -0.327 N 
ATOM     21  C   LIG    1        3.413  -0.315  -2.144  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1        2.132  -0.378  -3.010  0.00  0.00    +0.103 C 
BRANCH  20  23
ATOM     23  C   LIG    1        4.341   0.867  -0.248  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1        3.945   1.174   1.060  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        4.835   1.087   2.139  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1        6.164   0.699   1.941  0.00  0.00    +0.055 A 
ATOM     27  C   LIG    1        6.576   0.387   0.642  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        5.678   0.474  -0.428  0.00  0.00    +0.023 A 
BRANCH  26  29
ATOM     29  C   LIG    1        7.122   0.587   3.100  0.00  0.00    +0.417 C 
ATOM     30  F   LIG    1        7.160  -0.671   3.620  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        8.406   0.891   2.763  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        6.807   1.410   4.139  0.00  0.00    -0.166 F 
ENDBRANCH  26  29
ENDBRANCH  20  23
ENDBRANCH   1  17
TORSDOF 8