REMARK  Name = BDB064943
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.867  -0.076  -0.664  0.00  0.00    -0.033 A 
ATOM      2  C   LIG    1        0.495   0.082  -0.322  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1        1.541   0.017  -1.263  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        1.210  -0.230  -2.600  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1       -0.117  -0.415  -2.978  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.132  -0.344  -2.023  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.946   0.173  -0.846  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1        3.431   1.339  -0.228  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1        4.770   1.457   0.152  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        5.654   0.403  -0.078  0.00  0.00    +0.016 A 
ATOM     11  C   LIG    1        5.207  -0.780  -0.682  0.00  0.00    +0.056 A 
ATOM     12  C   LIG    1        3.858  -0.878  -1.065  0.00  0.00    +0.024 A 
BRANCH  11  13
ATOM     13  C   LIG    1        6.163  -1.916  -0.952  0.00  0.00    +0.417 C 
ATOM     14  F   LIG    1        6.730  -1.828  -2.187  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1        5.574  -3.142  -0.895  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        7.200  -1.961  -0.069  0.00  0.00    -0.166 F 
ENDBRANCH  11  13
BRANCH   8  17
ATOM     17  O   LIG    1        2.579   2.388  -0.004  0.00  0.00    -0.506 OA
ATOM     18  H   LIG    1        3.078   3.130   0.373  0.00  0.00    +0.292 HD
ENDBRANCH   8  17
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  C   LIG    1       -2.059   0.020   0.442  0.00  0.00    +0.056 C 
ATOM     20  C   LIG    1       -3.301   0.880   0.002  0.00  0.00    +0.022 C 
ATOM     21  C   LIG    1       -2.660   2.088   0.725  0.00  0.00    -0.012 C 
ATOM     22  C   LIG    1       -3.604   3.018   1.459  0.00  0.00    +0.007 C 
ATOM     23  C   LIG    1       -1.875   1.077   1.592  0.00  0.00    +0.022 C 
BRANCH  19  26
ATOM     24  C   LIG    1       -4.601  -1.184   2.253  0.00  0.00    +0.151 C 
ATOM     25  N   LIG    1       -3.454  -1.888   1.751  0.00  0.00    -0.320 N 
ATOM     26  C   LIG    1       -2.393  -1.438   1.004  0.00  0.00    +0.144 A 
ATOM     27  N   LIG    1       -1.573  -2.457   0.811  0.00  0.00    -0.134 NA
ATOM     28  N   LIG    1       -2.101  -3.572   1.409  0.00  0.00    -0.138 NA
ATOM     29  C   LIG    1       -3.229  -3.217   1.967  0.00  0.00    +0.224 A 
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 5