REMARK  Name = BDB045877
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.949   0.219   1.223  0.00  0.00    +0.183 A 
ATOM      2  N   LIG    1       -0.332   1.317   1.776  0.00  0.00    -0.324 N 
ATOM      3  C   LIG    1       -0.841   2.159   2.843  0.00  0.00    +0.124 C 
ATOM      4  C   LIG    1        0.201   3.152   3.364  0.00  0.00    +0.022 C 
ATOM      5  C   LIG    1        0.990   3.777   2.214  0.00  0.00    +0.008 C 
ATOM      6  C   LIG    1        1.731   2.698   1.421  0.00  0.00    +0.056 C 
ATOM      7  C   LIG    1        0.838   1.553   1.092  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        0.903   0.537   0.162  0.00  0.00    +0.095 A 
ATOM      9  N   LIG    1       -0.196  -0.281   0.255  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        1.976   0.317  -0.780  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1        1.734   0.333  -2.157  0.00  0.00    +0.133 A 
ATOM     12  F   LIG    1        0.507   0.588  -2.637  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        2.761   0.114  -3.073  0.00  0.00    +0.054 A 
ATOM     14  C   LIG    1        4.058  -0.130  -2.614  0.00  0.00    +0.062 A 
ATOM     15  C   LIG    1        4.314  -0.152  -1.236  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1        3.277   0.070  -0.324  0.00  0.00    +0.014 A 
BRANCH  14  17
ATOM     17  C   LIG    1        5.188  -0.367  -3.543  0.00  0.00    +0.337 C 
ATOM     18  O   LIG    1        6.343  -0.573  -3.222  0.00  0.00    -0.245 OA
BRANCH  17  19
ATOM     19  O   LIG    1        4.814  -0.334  -4.834  0.00  0.00    -0.477 OA
ATOM     20  H   LIG    1        5.645  -0.503  -5.326  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  14  17
ENDBRANCH   8  10
BRANCH   1  21
ATOM     21  C   LIG    1       -2.221  -0.349   1.637  0.00  0.00    +0.232 C 
ATOM     22  O   LIG    1       -2.876   0.026   2.609  0.00  0.00    -0.283 OA
BRANCH  21  24
ATOM     23  C   LIG    1       -3.201  -1.310  -0.439  0.00  0.00    +0.132 A 
ATOM     24  C   LIG    1       -2.756  -1.500   0.878  0.00  0.00    +0.079 A 
ATOM     25  C   LIG    1       -2.847  -2.763   1.492  0.00  0.00    +0.069 A 
ATOM     26  C   LIG    1       -3.395  -3.829   0.757  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -3.842  -3.638  -0.552  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -3.751  -2.381  -1.147  0.00  0.00    +0.046 A 
BRANCH  25  29
ATOM     29  C   LIG    1       -2.396  -2.979   2.912  0.00  0.00    +0.418 C 
ATOM     30  F   LIG    1       -1.228  -2.350   3.220  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1       -2.171  -4.298   3.192  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -3.312  -2.570   3.829  0.00  0.00    -0.166 F 
ENDBRANCH  25  29
BRANCH  23  34
ATOM     33  C   LIG    1       -2.543   0.003  -2.250  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1       -3.172  -0.046  -0.969  0.00  0.00    -0.494 OA
ENDBRANCH  23  34
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 7