REMARK  Name = BDB045922
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.797  -0.597  -1.030  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -1.508  -1.107  -0.830  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -0.364  -0.384  -1.220  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -0.518   0.887  -1.807  0.00  0.00    +0.132 A 
ATOM      5  C   LIG    1       -1.810   1.386  -2.024  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.936   0.653  -1.637  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.957  -1.039  -0.944  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        2.058  -0.535  -1.593  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        1.940   0.332  -2.105  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        1.022  -1.992  -0.171  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        3.402  -0.961  -1.286  0.00  0.00    +0.139 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.075   0.025  -0.365  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        3.817  -0.011   1.012  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        4.415   0.914   1.871  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        5.284   1.893   1.370  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1        5.528   1.938  -0.012  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        4.929   1.013  -0.871  0.00  0.00    +0.006 A 
BRANCH  15  18
ATOM     18  C   LIG    1        5.911   2.909   2.291  0.00  0.00    +0.417 C 
ATOM     19  F   LIG    1        6.077   2.454   3.564  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        5.165   4.044   2.394  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        7.146   3.312   1.878  0.00  0.00    -0.166 F 
ENDBRANCH  15  18
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   3   7
BRANCH   4  22
ATOM     22  O   LIG    1        0.612   1.577  -2.171  0.00  0.00    -0.494 OA
ATOM     23  C   LIG    1        0.496   2.995  -2.256  0.00  0.00    +0.277 C 
ENDBRANCH   4  22
BRANCH   1  24
ATOM     24  C   LIG    1       -4.013  -1.384  -0.596  0.00  0.00    +0.049 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.698  -0.811   0.658  0.00  0.00    +0.102 C 
BRANCH  25  27
ATOM     26  C   LIG    1       -3.445  -2.286   2.371  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1       -3.864  -0.884   1.949  0.00  0.00    +0.011 C 
ENDBRANCH  25  27
BRANCH  25  28
ATOM     28  C   LIG    1       -6.058  -1.433   0.891  0.00  0.00    +0.308 C 
ATOM     29  O   LIG    1       -6.987  -0.900   1.478  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -6.183  -2.693   0.441  0.00  0.00    -0.480 OA
ATOM     31  H   LIG    1       -7.090  -2.953   0.708  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  25  28
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 10