REMARK  Name = BDB042723
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.214  -4.796   0.248  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -1.640  -3.714   0.270  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -2.385  -2.462   0.455  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -1.683  -1.260   0.447  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -2.340  -0.035   0.595  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1       -1.647   1.184   0.651  0.00  0.00    -0.336 N 
ATOM      7  H   LIG    1       -2.246   1.960   0.370  0.00  0.00    +0.147 HD
ATOM      8  C   LIG    1       -0.354   1.201  -0.061  0.00  0.00    +0.121 C 
ATOM      9  C   LIG    1        0.544   0.017   0.379  0.00  0.00    +0.096 C 
ATOM     10  C   LIG    1       -3.719  -0.056   0.833  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -4.417  -1.263   0.841  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1       -5.740  -1.253   1.049  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -0.221  -1.307   0.295  0.00  0.00    +0.080 A 
ATOM     14  N   LIG    1        0.429  -2.426   0.156  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1       -3.766  -2.471   0.644  0.00  0.00    +0.052 A 
ATOM     16  N   LIG    1       -0.280  -3.589   0.123  0.00  0.00    -0.242 N 
ATOM     17  H   LIG    1        0.259  -4.444   0.014  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1        1.857  -0.026  -0.396  0.00  0.00    -0.001 A 
ATOM     19  C   LIG    1        3.064   0.244   0.262  0.00  0.00    +0.129 A 
ATOM     20  F   LIG    1        3.060   0.540   1.570  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        4.282   0.229  -0.410  0.00  0.00    +0.058 A 
ATOM     22  C   LIG    1        4.302  -0.061  -1.769  0.00  0.00    +0.044 A 
ATOM     23 CL   LIG    1        5.800  -0.084  -2.615  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1        3.118  -0.334  -2.452  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        1.898  -0.315  -1.770  0.00  0.00    +0.008 A 
ENDBRANCH   9  18
BRANCH   8  26
ATOM     26  C   LIG    1        0.360   2.543   0.125  0.00  0.00    +0.131 C 
ATOM     27  C   LIG    1       -0.278   3.754   0.780  0.00  0.00    +0.045 C 
ATOM     28  C   LIG    1        0.804   3.002   1.495  0.00  0.00    +0.045 C 
ATOM     29  F   LIG    1        1.232   2.877  -0.913  0.00  0.00    -0.240 F 
ENDBRANCH   8  26
TORSDOF 2