REMARK  Name = BDB012684
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.183   0.343   0.416  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1       -0.354   1.601  -0.003  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1       -1.733   1.491   0.171  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1       -2.623   2.534  -0.127  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1       -2.076   3.722  -0.621  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.704   3.847  -0.803  0.00  0.00    +0.124 A 
ATOM      7  F   LIG    1       -0.211   4.999  -1.278  0.00  0.00    -0.205 F 
ATOM      8  N   LIG    1       -1.920   0.221   0.650  0.00  0.00    -0.262 N 
ATOM      9  C   LIG    1        0.175   2.807  -0.503  0.00  0.00    +0.051 A 
ATOM     10  N   LIG    1       -0.788  -0.475   0.825  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        1.513   0.088   0.387  0.00  0.00    -0.296 N 
ATOM     12  H   LIG    1        2.127   0.833   0.053  0.00  0.00    +0.154 HD
BRANCH  11  14
ATOM     13  C   LIG    1        3.675  -1.075   0.645  0.00  0.00    +0.083 A 
ATOM     14  C   LIG    1        2.265  -1.061   0.722  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1        1.685  -2.252   1.163  0.00  0.00    +0.134 A 
ATOM     16  N   LIG    1        2.362  -3.380   1.509  0.00  0.00    -0.261 NA
ATOM     17  C   LIG    1        3.701  -3.341   1.418  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1        4.396  -2.227   0.997  0.00  0.00    +0.036 A 
BRANCH  13  20
ATOM     19  O   LIG    1        5.722   0.097   0.160  0.00  0.00    -0.245 OA
ATOM     20  C   LIG    1        4.505   0.078   0.204  0.00  0.00    +0.339 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.801   1.165  -0.173  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1        4.511   1.798  -0.429  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  13  20
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   8  23
ATOM     23  C   LIG    1       -3.179  -0.411   0.992  0.00  0.00    +0.153 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.959  -0.925  -0.208  0.00  0.00    +0.136 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.246  -2.040  -0.936  0.00  0.00    +0.392 C 
ATOM     26  F   LIG    1       -2.139  -1.612  -1.569  0.00  0.00    -0.171 F 
ATOM     27  F   LIG    1       -2.914  -3.043  -0.100  0.00  0.00    -0.171 F 
ATOM     28  F   LIG    1       -4.068  -2.557  -1.880  0.00  0.00    -0.171 F 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 7