REMARK  Name = BDB064242
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.091   0.123   1.227  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.001   0.103   2.614  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.981   0.758   3.251  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.906  -0.639   3.362  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.922  -1.353   2.719  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        2.049  -1.319   1.319  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1        1.113  -0.581   0.576  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -0.900   2.133   0.637  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -0.868   0.921   0.446  0.00  0.00    +0.250 C 
ATOM     10  N   LIG    1       -1.651   0.275  -0.511  0.00  0.00    -0.287 N 
ATOM     11  C   LIG    1       -2.611   1.083  -1.246  0.00  0.00    +0.131 C 
ATOM     12  C   LIG    1       -3.948   1.079  -0.487  0.00  0.00    +0.093 C 
ATOM     13  N   LIG    1       -4.420  -0.296  -0.216  0.00  0.00    -0.296 N 
ATOM     14  C   LIG    1       -5.761  -0.425   0.347  0.00  0.00    +0.108 C 
ATOM     15  C   LIG    1       -6.798   0.375  -0.432  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1       -6.362   1.825  -0.604  0.00  0.00    +0.003 C 
ATOM     17  C   LIG    1       -3.500  -1.306   0.105  0.00  0.00    +0.233 C 
ATOM     18  O   LIG    1       -3.840  -2.367   0.633  0.00  0.00    -0.274 OA
ATOM     19  C   LIG    1       -4.992   1.886  -1.270  0.00  0.00    +0.024 C 
ATOM     20  C   LIG    1       -2.052  -1.128  -0.397  0.00  0.00    +0.204 C 
ENDBRANCH   1   9
BRANCH   6  21
ATOM     21  C   LIG    1        3.143  -2.117   0.636  0.00  0.00    +0.162 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.861  -1.377  -0.403  0.00  0.00    -0.289 N 
ATOM     23  C   LIG    1        4.862  -0.413  -0.068  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1        5.526   0.275  -1.091  0.00  0.00    +0.063 A 
ATOM     25  C   LIG    1        6.513   1.231  -0.812  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        6.850   1.513   0.508  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        6.202   0.840   1.539  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        5.180  -0.013  -2.490  0.00  0.00    +0.262 A 
ATOM     29  O   LIG    1        5.725   0.558  -3.427  0.00  0.00    -0.267 OA
ATOM     30  N   LIG    1        4.212  -0.958  -2.684  0.00  0.00    -0.274 N 
ATOM     31  H   LIG    1        3.956  -1.154  -3.640  0.00  0.00    +0.173 HD
ATOM     32  C   LIG    1        5.218  -0.115   1.255  0.00  0.00    +0.027 A 
ATOM     33  C   LIG    1        3.523  -1.639  -1.723  0.00  0.00    +0.330 A 
ATOM     34  O   LIG    1        2.643  -2.429  -2.063  0.00  0.00    -0.246 OA
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 3