REMARK  Name = BDB065325
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.144   0.075   0.211  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.260   1.444   0.433  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -1.294   2.135  -0.067  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.695   2.115   1.189  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.790   1.416   1.702  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.949   0.044   1.445  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.964  -0.625   0.703  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  16
ATOM      8  C   LIG    1       -4.750   0.541  -2.041  0.00  0.00    +0.032 C 
ATOM      9  C   LIG    1       -4.782  -0.726  -1.184  0.00  0.00    +0.105 C 
ATOM     10  N   LIG    1       -5.243  -0.436   0.164  0.00  0.00    -0.303 N 
ATOM     11  C   LIG    1       -4.388  -0.292   1.228  0.00  0.00    +0.151 A 
ATOM     12  N   LIG    1       -5.094  -0.070   2.313  0.00  0.00    -0.132 NA
ATOM     13  N   LIG    1       -6.418  -0.053   1.959  0.00  0.00    -0.127 NA
ATOM     14  C   LIG    1       -2.909  -0.414   1.122  0.00  0.00    +0.184 C 
ATOM     15  N   LIG    1       -2.474  -0.638  -0.264  0.00  0.00    -0.288 N 
ATOM     16  C   LIG    1       -1.125  -0.642  -0.622  0.00  0.00    +0.250 C 
ATOM     17  O   LIG    1       -0.690  -1.238  -1.606  0.00  0.00    -0.270 OA
ATOM     18  C   LIG    1       -6.513  -0.264   0.656  0.00  0.00    +0.219 A 
ATOM     19  C   LIG    1       -3.396  -1.388  -1.121  0.00  0.00    +0.133 C 
BRANCH  18  20
ATOM     20  C   LIG    1       -7.772  -0.292  -0.142  0.00  0.00    +0.382 C 
ATOM     21 CL   LIG    1       -8.373   1.356  -0.418  0.00  0.00    -0.039 Cl
ATOM     22  F   LIG    1       -7.593  -0.888  -1.355  0.00  0.00    -0.179 F 
ATOM     23  F   LIG    1       -8.740  -1.021   0.478  0.00  0.00    -0.179 F 
ENDBRANCH  18  20
ENDBRANCH   1  16
BRANCH   6  24
ATOM     24  C   LIG    1        3.143  -0.715   1.984  0.00  0.00    +0.093 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.476  -0.046   1.676  0.00  0.00    +0.074 A 
ATOM     26  C   LIG    1        5.069  -0.153   0.318  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1        6.284   0.496   0.102  0.00  0.00    +0.050 A 
ATOM     28  C   LIG    1        6.908   0.448  -1.150  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1        6.311  -0.254  -2.195  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        5.096  -0.906  -1.987  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        6.910   1.236   1.210  0.00  0.00    +0.272 A 
ATOM     32  O   LIG    1        7.978   1.820   1.067  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1        6.228   1.231   2.401  0.00  0.00    -0.242 N 
ATOM     34  H   LIG    1        6.648   1.735   3.177  0.00  0.00    +0.192 HD
ATOM     35  C   LIG    1        4.474  -0.858  -0.735  0.00  0.00    +0.010 A 
ATOM     36  N   LIG    1        5.042   0.614   2.645  0.00  0.00    -0.175 NA
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 4