REMARK  Name = BDB021758
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.485   0.582   1.453  0.00  0.00    -0.298 NA
ATOM      2  C   LIG    1       -1.569   1.664   2.439  0.00  0.00    +0.085 C 
ATOM      3  C   LIG    1       -0.198   1.871   3.085  0.00  0.00    +0.028 C 
ATOM      4  C   LIG    1        0.515   0.556   3.423  0.00  0.00    +0.078 C 
ATOM      5  C   LIG    1       -0.430  -0.648   3.389  0.00  0.00    +0.028 C 
ATOM      6  C   LIG    1       -1.310  -0.720   2.132  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.754   0.323   2.553  0.00  0.00    +0.220 C 
ATOM      8  N   LIG    1        1.501   0.252   1.197  0.00  0.00    -0.285 N 
ATOM      9  H   LIG    1        0.530   0.390   0.914  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        2.852   0.195   3.091  0.00  0.00    -0.275 OA
BRANCH   8  11
ATOM     11  C   LIG    1        2.424  -0.017   0.166  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1        1.914  -0.117  -1.135  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        2.750  -0.385  -2.233  0.00  0.00    +0.057 A 
ATOM     14  C   LIG    1        4.120  -0.564  -2.009  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        4.637  -0.469  -0.718  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        3.794  -0.196   0.363  0.00  0.00    +0.023 A 
BRANCH  13  17
ATOM     17  C   LIG    1        2.164  -0.504  -3.615  0.00  0.00    +0.417 C 
ATOM     18  F   LIG    1        1.475  -1.665  -3.795  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        1.289   0.499  -3.907  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        3.100  -0.472  -4.606  0.00  0.00    -0.166 F 
ENDBRANCH  13  17
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  21
ATOM     21  C   LIG    1       -2.691   0.574   0.598  0.00  0.00    +0.119 C 
BRANCH  21  24
ATOM     22  C   LIG    1       -1.504   1.909  -1.833  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1       -1.919   0.462  -1.845  0.00  0.00    -0.046 A 
ATOM     24  C   LIG    1       -2.478  -0.165  -0.710  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -2.843  -1.521  -0.792  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -2.651  -2.247  -1.966  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -2.099  -1.628  -3.081  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -1.739  -0.283  -3.022  0.00  0.00    +0.003 A 
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 5