REMARK  Name = BDB042733
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.956  -0.959  -2.706  0.00  0.00    +0.029 C 
ATOM      2  C   LIG    1       -0.075  -0.787  -1.462  0.00  0.00    +0.081 C 
ATOM      3  C   LIG    1       -0.548   0.395  -0.580  0.00  0.00    +0.093 C 
ATOM      4  C   LIG    1        0.459   0.664   0.542  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1        1.858   0.279   0.303  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        2.798   0.570   1.287  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1        2.345   1.217   2.525  0.00  0.00    +0.273 A 
ATOM      8  N   LIG    1        1.006   1.518   2.593  0.00  0.00    -0.242 N 
ATOM      9  H   LIG    1        0.672   1.976   3.436  0.00  0.00    +0.192 HD
ATOM     10  O   LIG    1        3.129   1.472   3.432  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1        4.145   0.271   1.085  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        4.525  -0.299  -0.121  0.00  0.00    +0.126 A 
ATOM     13  F   LIG    1        5.818  -0.570  -0.343  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        3.588  -0.588  -1.113  0.00  0.00    +0.062 A 
ATOM     15  C   LIG    1        2.229  -0.336  -0.898  0.00  0.00    +0.040 A 
ATOM     16  N   LIG    1        0.075   1.272   1.628  0.00  0.00    -0.175 NA
ATOM     17  N   LIG    1        1.305  -0.569  -1.930  0.00  0.00    -0.340 N 
ATOM     18  H   LIG    1        1.624  -1.302  -2.565  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   3  19
ATOM     19  C   LIG    1       -1.960   0.198  -0.044  0.00  0.00    -0.001 A 
ATOM     20  C   LIG    1       -2.280  -0.887   0.784  0.00  0.00    +0.129 A 
ATOM     21  F   LIG    1       -1.336  -1.783   1.104  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -3.565  -1.069   1.285  0.00  0.00    +0.058 A 
ATOM     23  C   LIG    1       -4.555  -0.149   0.960  0.00  0.00    +0.044 A 
ATOM     24 CL   LIG    1       -6.150  -0.360   1.569  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1       -4.266   0.943   0.142  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -2.973   1.118  -0.357  0.00  0.00    +0.008 A 
ENDBRANCH   3  19
TORSDOF 1