REMARK  Name = BDB045910
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.367   0.201  -1.393  0.00  0.00    +0.132 A 
ATOM      2  C   LIG    1       -0.476   0.189   0.011  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1       -1.538  -0.515   0.613  0.00  0.00    +0.020 A 
ATOM      4  C   LIG    1       -2.505  -1.180  -0.152  0.00  0.00    -0.045 A 
ATOM      5  C   LIG    1       -2.393  -1.144  -1.544  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.340  -0.457  -2.157  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        0.486   0.861   0.945  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        1.328   1.807   0.410  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        1.351   1.895  -0.600  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        0.494   0.565   2.137  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        2.407   2.398   1.163  0.00  0.00    +0.139 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.715   1.722   0.838  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        4.597   2.276  -0.099  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        5.795   1.629  -0.412  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        6.135   0.416   0.205  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1        5.243  -0.146   1.130  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        4.046   0.501   1.443  0.00  0.00    +0.006 A 
BRANCH  15  18
ATOM     18  C   LIG    1        7.416  -0.294  -0.155  0.00  0.00    +0.417 C 
ATOM     19  F   LIG    1        8.424   0.561  -0.489  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        7.907  -1.068   0.854  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        7.264  -1.125  -1.224  0.00  0.00    -0.166 F 
ENDBRANCH  15  18
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   2   7
BRANCH   1  23
ATOM     22  C   LIG    1        1.094   0.461  -3.255  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1        0.678   0.886  -1.960  0.00  0.00    -0.494 OA
ENDBRANCH   1  23
BRANCH   4  24
ATOM     24  C   LIG    1       -3.637  -1.923   0.520  0.00  0.00    +0.052 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.938  -1.118   0.771  0.00  0.00    +0.066 C 
ATOM     26  C   LIG    1       -5.567  -0.572  -0.522  0.00  0.00    +0.023 C 
ATOM     27  C   LIG    1       -4.681   0.076   1.713  0.00  0.00    +0.023 C 
BRANCH  25  28
ATOM     28  C   LIG    1       -5.925  -2.065   1.469  0.00  0.00    +0.311 C 
ATOM     29  O   LIG    1       -6.238  -1.990   2.648  0.00  0.00    -0.250 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -6.424  -3.046   0.683  0.00  0.00    -0.480 OA
ATOM     31  H   LIG    1       -6.111  -3.054  -0.239  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  25  28
ENDBRANCH  24  25
ENDBRANCH   4  24
TORSDOF 9