REMARK  Name = BDB058678
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.276  -3.641  -1.439  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        2.663  -2.342  -0.811  0.00  0.00    +0.069 C 
ATOM      3  C   LIG    1        1.724  -1.435  -0.125  0.00  0.00    +0.065 C 
ATOM      4  C   LIG    1        0.415  -1.688  -0.009  0.00  0.00    +0.061 C 
ATOM      5  C   LIG    1        2.572  -0.294   0.307  0.00  0.00    +0.272 C 
ATOM      6  O   LIG    1        2.199   0.703   0.895  0.00  0.00    -0.268 OA
ATOM      7  N   LIG    1        3.852  -0.667  -0.145  0.00  0.00    -0.156 N 
ATOM      8  N   LIG    1        3.886  -1.889  -0.812  0.00  0.00    -0.177 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        5.066   0.054  -0.008  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1        5.124   1.295   0.640  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        6.336   1.989   0.764  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        7.515   1.453   0.240  0.00  0.00    +0.059 A 
ATOM     13  C   LIG    1        7.474   0.217  -0.409  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        6.261  -0.471  -0.529  0.00  0.00    +0.026 A 
BRANCH  12  15
ATOM     15  C   LIG    1        8.773   2.223   0.396  0.00  0.00    +0.337 C 
ATOM     16  O   LIG    1        8.885   3.302   0.948  0.00  0.00    -0.245 OA
BRANCH  15  17
ATOM     17  O   LIG    1        9.835   1.605  -0.149  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1       10.578   2.219   0.027  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH   7   9
BRANCH   4  19
ATOM     19  C   LIG    1       -0.548  -0.872   0.642  0.00  0.00    +0.129 A 
ATOM     20  O   LIG    1       -1.847  -0.817   0.182  0.00  0.00    -0.455 OA
ATOM     21  C   LIG    1       -2.574  -0.002   0.995  0.00  0.00    +0.136 A 
ATOM     22  C   LIG    1       -1.770   0.480   2.000  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1       -0.489  -0.086   1.786  0.00  0.00    +0.050 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -3.972   0.167   0.621  0.00  0.00    +0.029 A 
ATOM     25  C   LIG    1       -5.033  -0.011   1.525  0.00  0.00    +0.066 A 
ATOM     26  C   LIG    1       -6.354   0.206   1.077  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1       -6.638   0.578  -0.246  0.00  0.00    -0.047 A 
ATOM     28  C   LIG    1       -8.068   0.788  -0.664  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1       -5.578   0.731  -1.154  0.00  0.00    -0.047 A 
ATOM     30  C   LIG    1       -5.818   1.123  -2.586  0.00  0.00    +0.044 C 
ATOM     31  C   LIG    1       -4.263   0.527  -0.708  0.00  0.00    +0.015 A 
BRANCH  25  32
ATOM     32  C   LIG    1       -4.808  -0.434   2.956  0.00  0.00    +0.418 C 
ATOM     33  F   LIG    1       -5.962  -0.779   3.601  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -3.993  -1.517   3.085  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1       -4.257   0.553   3.717  0.00  0.00    -0.166 F 
ENDBRANCH  25  32
ENDBRANCH  21  24
ENDBRANCH   4  19
TORSDOF 6