REMARK  Name = BDB040607
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.876   1.451  -0.970  0.00  0.00    -0.026 A 
ATOM      2  C   LIG    1       -1.157   2.056   0.261  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -2.444   1.998   0.817  0.00  0.00    +0.048 A 
ATOM      4 CL   LIG    1       -2.657   2.765   2.352  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -3.487   1.331   0.152  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -3.177   0.714  -1.069  0.00  0.00    +0.129 A 
ATOM      7  F   LIG    1       -4.126   0.034  -1.730  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -1.901   0.765  -1.625  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.912   1.217   0.668  0.00  0.00    +0.110 C 
ATOM     10  C   LIG    1       -5.548   2.564   1.001  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -5.331   3.591   0.361  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -6.463   2.570   2.027  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -6.889   3.464   2.229  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -7.005   1.491   2.678  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -7.936   1.628   3.467  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -6.457   0.135   2.306  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -5.013   0.236   1.842  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        0.511   1.487  -1.552  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1        1.439  -0.782  -1.913  0.00  0.00    +0.226 C 
ATOM     20  N   LIG    1        1.266   0.336  -1.124  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.778   0.386  -0.246  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        0.941  -0.858  -3.036  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1        2.217  -1.944  -1.262  0.00  0.00    +0.101 C 
ATOM     24  C   LIG    1        1.388  -2.500  -0.087  0.00  0.00    +0.029 C 
ATOM     25  C   LIG    1        2.385  -3.077  -2.295  0.00  0.00    +0.029 C 
BRANCH  23  29
ATOM     26  C   LIG    1        5.981  -0.552   0.192  0.00  0.00    +0.156 A 
ATOM     27  C   LIG    1        4.773  -0.150   0.720  0.00  0.00    +0.160 A 
ATOM     28  N   LIG    1        3.565  -0.570   0.277  0.00  0.00    -0.236 NA
ATOM     29  C   LIG    1        3.568  -1.449  -0.752  0.00  0.00    +0.144 A 
ATOM     30  N   LIG    1        4.695  -1.902  -1.335  0.00  0.00    -0.236 NA
ATOM     31  C   LIG    1        5.872  -1.442  -0.851  0.00  0.00    +0.160 A 
BRANCH  26  33
ATOM     32  C   LIG    1        8.344  -0.471   0.184  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1        7.109  -0.036   0.745  0.00  0.00    -0.492 OA
ENDBRANCH  26  33
ENDBRANCH  23  29
ENDBRANCH  19  23
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6