REMARK  Name = BDB052872
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.113  -4.470  -1.457  0.00  0.00    +0.141 C 
ATOM      2  N   LIG    1       -2.059  -3.026  -1.464  0.00  0.00    -0.245 N 
ATOM      3  C   LIG    1       -2.615  -2.193  -2.359  0.00  0.00    +0.183 C 
ATOM      4  N   LIG    1       -2.378  -0.932  -2.210  0.00  0.00    -0.230 NA
ATOM      5  C   LIG    1       -1.501  -0.803  -0.986  0.00  0.00    +0.191 C 
ATOM      6  C   LIG    1       -1.316  -2.290  -0.586  0.00  0.00    +0.258 C 
ATOM      7  O   LIG    1       -0.637  -2.743   0.327  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -0.148  -0.150  -1.337  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        0.903  -0.119  -0.397  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1        2.127   0.488  -0.699  0.00  0.00    +0.060 A 
ATOM     11  C   LIG    1        2.308   1.077  -1.948  0.00  0.00    +0.139 A 
ATOM     12  F   LIG    1        3.472   1.667  -2.264  0.00  0.00    -0.204 F 
ATOM     13  C   LIG    1        1.287   1.070  -2.891  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1        0.066   0.464  -2.587  0.00  0.00    +0.010 A 
BRANCH  10  15
ATOM     15  C   LIG    1        3.178   0.500   0.272  0.00  0.00    -0.063 C 
ATOM     16  C   LIG    1        4.067   0.512   1.079  0.00  0.00    -0.097 C 
BRANCH  16  17
ATOM     17  C   LIG    1        5.165   0.535   2.053  0.00  0.00    +0.091 C 
BRANCH  17  18
ATOM     18  C   LIG    1        6.473   0.026   1.458  0.00  0.00    +0.046 C 
BRANCH  18  19
ATOM     19  C   LIG    1        7.021   0.931   0.367  0.00  0.00    +0.214 C 
ATOM     20  F   LIG    1        8.235   0.450  -0.019  0.00  0.00    -0.249 F 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  10  15
ENDBRANCH   5   8
BRANCH   5  21
ATOM     21  C   LIG    1       -2.248   0.032   0.075  0.00  0.00    -0.007 A 
ATOM     22  C   LIG    1       -2.207  -0.262   1.446  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1       -2.883   0.540   2.372  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -3.600   1.663   1.959  0.00  0.00    +0.127 A 
ATOM     25  C   LIG    1       -3.654   1.970   0.602  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1       -2.978   1.168  -0.326  0.00  0.00    +0.010 A 
BRANCH  24  27
ATOM     27  O   LIG    1       -4.212   2.357   2.964  0.00  0.00    -0.434 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -4.613   3.681   2.656  0.00  0.00    +0.541 C 
ATOM     29  F   LIG    1       -5.729   3.642   1.886  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -4.971   4.277   3.823  0.00  0.00    -0.166 F 
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH   5  21
BRANCH   3  31
ATOM     31  N   LIG    1       -3.391  -2.648  -3.370  0.00  0.00    -0.331 N 
ATOM     32  H   LIG    1       -3.917  -1.903  -3.817  0.00  0.00    +0.145 HD
ATOM     33  H   LIG    1       -3.959  -3.462  -3.175  0.00  0.00    +0.145 HD
ENDBRANCH   3  31
TORSDOF 9