REMARK  Name = BDB058448
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.094   1.758   0.743  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1       -2.667   0.709   0.491  0.00  0.00    +0.231 C 
ATOM      3  C   LIG    1       -1.995  -0.647   0.143  0.00  0.00    +0.080 C 
ATOM      4  C   LIG    1       -1.191  -1.161   1.345  0.00  0.00    +0.040 C 
ATOM      5  C   LIG    1        0.129  -0.414   1.522  0.00  0.00    +0.109 C 
ATOM      6  N   LIG    1        0.898  -0.453   0.270  0.00  0.00    -0.301 N 
ATOM      7  C   LIG    1        0.194   0.208  -0.842  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -1.131  -0.503  -1.116  0.00  0.00    +0.040 C 
ATOM      9  C   LIG    1       -3.212  -1.513  -0.115  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -4.381  -0.778   0.077  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -5.632  -1.337  -0.111  0.00  0.00    +0.062 A 
ATOM     12  C   LIG    1       -5.686  -2.676  -0.495  0.00  0.00    +0.128 A 
ATOM     13  C   LIG    1       -4.529  -3.434  -0.687  0.00  0.00    +0.077 A 
ATOM     14  F   LIG    1       -6.881  -3.251  -0.684  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1       -3.287  -2.842  -0.494  0.00  0.00    +0.132 A 
ATOM     16  F   LIG    1       -2.173  -3.560  -0.676  0.00  0.00    -0.205 F 
ATOM     17  N   LIG    1       -4.050   0.522   0.462  0.00  0.00    -0.268 N 
ENDROOT
BRANCH   6  18
ATOM     18  C   LIG    1        2.276  -0.306   0.323  0.00  0.00    +0.198 A 
ATOM     19  N   LIG    1        2.948  -1.143   1.169  0.00  0.00    -0.295 N 
ATOM     20  H   LIG    1        2.449  -1.873   1.646  0.00  0.00    +0.172 HD
ATOM     21  C   LIG    1        4.305  -1.164   1.290  0.00  0.00    +0.256 A 
ATOM     22  O   LIG    1        4.886  -1.979   1.999  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1        5.022  -0.143   0.504  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1        6.510  -0.053   0.648  0.00  0.00    +0.042 C 
ATOM     25  C   LIG    1        7.088   1.227   0.040  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        6.440   1.535  -1.305  0.00  0.00    +0.006 C 
ATOM     27  C   LIG    1        4.924   1.697  -1.162  0.00  0.00    +0.056 C 
ATOM     28  C   LIG    1        4.279   0.641  -0.294  0.00  0.00    +0.053 A 
ATOM     29  N   LIG    1        2.913   0.558  -0.407  0.00  0.00    -0.220 NA
ENDBRANCH   6  18
BRANCH  17  30
ATOM     30  C   LIG    1       -5.000   1.589   0.687  0.00  0.00    +0.141 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -5.303   2.380  -0.585  0.00  0.00    +0.175 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -6.223   3.432  -0.311  0.00  0.00    -0.393 OA
ATOM     33  H   LIG    1       -5.739   4.119   0.183  0.00  0.00    +0.209 HD
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  17  30
TORSDOF 4