REMARK  Name = BDB042779
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.208   2.851   1.704  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        2.372   2.022   1.364  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1        2.745   0.857   0.552  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        1.749  -0.035   0.168  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1        2.045  -1.174  -0.594  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1        1.064  -2.130  -0.916  0.00  0.00    -0.342 N 
ATOM      7  H   LIG    1        1.327  -2.695  -1.723  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -0.281  -1.561  -1.047  0.00  0.00    +0.116 C 
ATOM      9  C   LIG    1       -0.694  -0.788   0.213  0.00  0.00    +0.088 C 
ATOM     10  C   LIG    1        3.385  -1.424  -0.906  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.378  -0.520  -0.528  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1        5.651  -0.771  -0.857  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        0.371   0.228   0.614  0.00  0.00    +0.080 A 
ATOM     14  N   LIG    1        0.059   1.238   1.373  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1        4.072   0.626   0.193  0.00  0.00    +0.052 A 
ATOM     16  N   LIG    1        1.047   2.111   1.720  0.00  0.00    -0.242 N 
ATOM     17  H   LIG    1        0.767   2.905   2.288  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1       -2.099  -0.209   0.075  0.00  0.00    -0.019 A 
ATOM     19  C   LIG    1       -2.438   0.856  -0.780  0.00  0.00    +0.045 A 
ATOM     20 CL   LIG    1       -1.282   1.650  -1.792  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1       -3.757   1.320  -0.852  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -4.756   0.733  -0.078  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -4.440  -0.321   0.772  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.126  -0.787   0.848  0.00  0.00    +0.006 A 
ENDBRANCH   9  18
TORSDOF 1