REMARK  Name = BDB042718
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        5.096   1.071   1.166  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        3.958   0.858   0.766  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1        3.392  -0.497   0.770  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        2.082  -0.675   0.337  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1        1.494  -1.945   0.297  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1        0.209  -2.149  -0.221  0.00  0.00    -0.336 N 
ATOM      7  H   LIG    1       -0.202  -3.035   0.066  0.00  0.00    +0.147 HD
ATOM      8  C   LIG    1       -0.711  -1.008  -0.044  0.00  0.00    +0.121 C 
ATOM      9  C   LIG    1       -0.098   0.290  -0.619  0.00  0.00    +0.095 C 
ATOM     10  C   LIG    1        2.284  -3.044   0.652  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        3.593  -2.858   1.098  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1        4.321  -3.925   1.453  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        1.333   0.506  -0.120  0.00  0.00    +0.080 A 
ATOM     14  N   LIG    1        1.863   1.695  -0.165  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1        4.157  -1.593   1.169  0.00  0.00    +0.052 A 
ATOM     16  N   LIG    1        3.141   1.851   0.281  0.00  0.00    -0.242 N 
ATOM     17  H   LIG    1        3.514   2.795   0.259  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1       -0.996   1.510  -0.400  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1       -1.249   2.095   0.855  0.00  0.00    +0.045 A 
ATOM     20 CL   LIG    1       -0.565   1.491   2.323  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1       -2.095   3.204   0.966  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -2.703   3.747  -0.166  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -2.466   3.181  -1.413  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -1.621   2.076  -1.530  0.00  0.00    +0.006 A 
ENDBRANCH   9  18
BRANCH   8  25
ATOM     25  C   LIG    1       -2.019  -1.351  -0.744  0.00  0.00    +0.131 C 
ATOM     26  C   LIG    1       -2.951  -2.371  -0.132  0.00  0.00    +0.045 C 
ATOM     27  C   LIG    1       -3.343  -0.923  -0.159  0.00  0.00    +0.045 C 
ATOM     28  F   LIG    1       -1.973  -1.377  -2.137  0.00  0.00    -0.240 F 
ENDBRANCH   8  25
TORSDOF 2