REMARK  Name = BDB052867
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.205  -1.242  -1.110  0.00  0.00    +0.191 C 
ATOM      2  C   LIG    1        0.099  -2.455  -0.191  0.00  0.00    +0.258 C 
ATOM      3  O   LIG    1        0.414  -2.440   0.993  0.00  0.00    -0.272 OA
ATOM      4  N   LIG    1       -0.039  -3.574  -0.961  0.00  0.00    -0.245 N 
ATOM      5  C   LIG    1        0.212  -4.914  -0.483  0.00  0.00    +0.141 C 
ATOM      6  C   LIG    1       -0.321  -3.196  -2.219  0.00  0.00    +0.183 C 
ATOM      7  N   LIG    1       -0.434  -1.928  -2.437  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1       -3.600   0.349   2.357  0.00  0.00    +0.047 C 
ATOM      9  C   LIG    1       -3.123   0.313   0.930  0.00  0.00    -0.008 A 
ATOM     10  C   LIG    1       -3.808   1.016  -0.073  0.00  0.00    +0.130 A 
ATOM     11  C   LIG    1       -3.351   0.955  -1.390  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -2.200   0.226  -1.703  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -1.487  -0.478  -0.718  0.00  0.00    -0.006 A 
ATOM     14  C   LIG    1       -1.964  -0.413   0.602  0.00  0.00    +0.013 A 
BRANCH  10  15
ATOM     15  O   LIG    1       -4.927   1.700   0.320  0.00  0.00    -0.434 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -5.223   2.863  -0.435  0.00  0.00    +0.541 C 
ATOM     17  F   LIG    1       -5.882   2.502  -1.564  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1       -6.093   3.608   0.296  0.00  0.00    -0.166 F 
ENDBRANCH  15  16
ENDBRANCH  10  15
ENDBRANCH   1  13
BRANCH   1  19
ATOM     19  C   LIG    1        1.000  -0.282  -1.179  0.00  0.00    -0.005 A 
ATOM     20  C   LIG    1        1.521   0.308  -0.008  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        2.600   1.198  -0.064  0.00  0.00    +0.060 A 
ATOM     22  C   LIG    1        3.167   1.509  -1.297  0.00  0.00    +0.139 A 
ATOM     23  F   LIG    1        4.202   2.360  -1.381  0.00  0.00    -0.204 F 
ATOM     24  C   LIG    1        2.669   0.949  -2.468  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1        1.591   0.062  -2.410  0.00  0.00    +0.010 A 
BRANCH  21  26
ATOM     26  C   LIG    1        3.107   1.778   1.142  0.00  0.00    -0.063 C 
ATOM     27  C   LIG    1        3.529   2.261   2.157  0.00  0.00    -0.094 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.033   2.838   3.368  0.00  0.00    +0.064 C 
ATOM     29  C   LIG    1        5.409   2.444   3.838  0.00  0.00    +0.017 C 
ATOM     30  C   LIG    1        4.198   1.954   4.577  0.00  0.00    +0.017 C 
ENDBRANCH  27  28
ENDBRANCH  21  26
ENDBRANCH   1  19
BRANCH   6  31
ATOM     31  N   LIG    1       -0.484  -4.098  -3.216  0.00  0.00    -0.331 N 
ATOM     32  H   LIG    1       -0.910  -3.686  -4.040  0.00  0.00    +0.145 HD
ATOM     33  H   LIG    1       -0.905  -4.982  -2.961  0.00  0.00    +0.145 HD
ENDBRANCH   6  31
TORSDOF 7