REMARK  Name = BDB045907
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.494   1.161   0.113  0.00  0.00    -0.043 A 
ATOM      2  C   LIG    1       -1.441   0.587  -0.618  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -0.338   0.008   0.031  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -0.283   0.048   1.432  0.00  0.00    +0.132 A 
ATOM      5  C   LIG    1       -1.341   0.590   2.167  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.439   1.146   1.511  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.725  -0.599  -0.828  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        1.569  -1.502  -0.224  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        1.492  -1.622   0.780  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        0.809  -0.294  -2.014  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        2.776  -1.968  -0.863  0.00  0.00    +0.139 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.956  -1.138  -0.417  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        4.766  -1.555   0.648  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        5.834  -0.762   1.077  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        6.104   0.469   0.459  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1        5.292   0.884  -0.607  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        4.225   0.091  -1.036  0.00  0.00    +0.006 A 
BRANCH  15  18
ATOM     18  C   LIG    1        7.267   1.318   0.911  0.00  0.00    +0.417 C 
ATOM     19  F   LIG    1        8.394   1.089   0.182  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        7.612   1.098   2.212  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        7.023   2.655   0.815  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        0.776  -0.485   2.127  0.00  0.00    -0.494 OA
ATOM     23  C   LIG    1        1.671   0.558   2.531  0.00  0.00    +0.277 C 
ENDBRANCH   4  22
BRANCH   1  24
ATOM     24  C   LIG    1       -3.682   1.767  -0.603  0.00  0.00    +0.078 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.797   0.746  -0.885  0.00  0.00    +0.230 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -6.078   1.495  -1.264  0.00  0.00    +0.334 C 
ATOM     27  O   LIG    1       -6.326   2.675  -1.067  0.00  0.00    -0.248 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -7.019   0.703  -1.823  0.00  0.00    -0.479 OA
ATOM     29  H   LIG    1       -7.752   1.316  -2.038  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  25  26
BRANCH  25  30
ATOM     30  O   LIG    1       -4.383  -0.099  -1.966  0.00  0.00    -0.365 OA
BRANCH  30  32
ATOM     31  C   LIG    1       -5.580  -2.179  -1.538  0.00  0.00    +0.034 C 
ATOM     32  C   LIG    1       -4.238  -1.474  -1.614  0.00  0.00    +0.157 C 
ENDBRANCH  30  32
ENDBRANCH  25  30
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 11