REMARK  Name = BDB042729
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.947  -1.018  -2.687  0.00  0.00    +0.029 C 
ATOM      2  C   LIG    1       -0.068  -0.815  -1.447  0.00  0.00    +0.081 C 
ATOM      3  C   LIG    1       -0.552   0.379  -0.588  0.00  0.00    +0.093 C 
ATOM      4  C   LIG    1        0.453   0.678   0.529  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1        1.856   0.301   0.298  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        2.793   0.619   1.276  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1        2.333   1.285   2.502  0.00  0.00    +0.273 A 
ATOM      8  N   LIG    1        0.992   1.576   2.564  0.00  0.00    -0.242 N 
ATOM      9  H   LIG    1        0.654   2.046   3.398  0.00  0.00    +0.192 HD
ATOM     10  O   LIG    1        3.115   1.564   3.403  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1        4.142   0.328   1.080  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        4.528  -0.262  -0.115  0.00  0.00    +0.126 A 
ATOM     13  F   LIG    1        5.823  -0.525  -0.332  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        3.594  -0.577  -1.102  0.00  0.00    +0.062 A 
ATOM     15  C   LIG    1        2.232  -0.334  -0.891  0.00  0.00    +0.040 A 
ATOM     16  N   LIG    1        0.064   1.303   1.604  0.00  0.00    -0.175 NA
ATOM     17  N   LIG    1        1.311  -0.594  -1.919  0.00  0.00    -0.340 N 
ATOM     18  H   LIG    1        1.636  -1.336  -2.539  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   3  19
ATOM     19  C   LIG    1       -1.962   0.180  -0.048  0.00  0.00    -0.001 A 
ATOM     20  C   LIG    1       -2.273  -0.892   0.801  0.00  0.00    +0.129 A 
ATOM     21  F   LIG    1       -1.320  -1.773   1.138  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -3.555  -1.075   1.305  0.00  0.00    +0.058 A 
ATOM     23  C   LIG    1       -4.554  -0.171   0.962  0.00  0.00    +0.044 A 
ATOM     24 CL   LIG    1       -6.147  -0.385   1.576  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1       -4.274   0.908   0.124  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -2.982   1.085  -0.379  0.00  0.00    +0.008 A 
ENDBRANCH   3  19
TORSDOF 1