REMARK  Name = BDB029460
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.883   3.610   0.276  0.00  0.00    +0.089 A 
ATOM      2  C   LIG    1       -1.439   2.406  -0.166  0.00  0.00    +0.162 A 
ATOM      3  F   LIG    1       -2.724   2.409  -0.555  0.00  0.00    -0.202 F 
ATOM      4  C   LIG    1       -0.679   1.225  -0.261  0.00  0.00    +0.081 A 
ATOM      5  C   LIG    1        0.685   1.300   0.115  0.00  0.00    +0.063 A 
ATOM      6  C   LIG    1        1.250   2.514   0.548  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        0.465   3.663   0.634  0.00  0.00    +0.022 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        1.552   0.090   0.020  0.00  0.00    +0.269 C 
ATOM      9  N   LIG    1        2.524  -0.027   0.998  0.00  0.00    -0.190 N 
ATOM     10  H   LIG    1        2.358   0.407   1.900  0.00  0.00    +0.183 HD
ATOM     11  O   LIG    1        1.356  -0.725  -0.877  0.00  0.00    -0.268 OA
BRANCH   9  12
ATOM     12  O   LIG    1        3.068  -1.335   1.092  0.00  0.00    -0.277 OA
BRANCH  12  13
ATOM     13  C   LIG    1        4.335  -1.347   0.434  0.00  0.00    +0.218 C 
BRANCH  13  14
ATOM     14  C   LIG    1        4.896  -2.763   0.463  0.00  0.00    +0.186 C 
BRANCH  14  15
ATOM     15  O   LIG    1        6.142  -2.832  -0.220  0.00  0.00    -0.393 OA
ATOM     16  H   LIG    1        5.952  -2.752  -1.171  0.00  0.00    +0.209 HD
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   5   8
BRANCH   1  18
ATOM     17  N   LIG    1       -2.314   5.763   0.436  0.00  0.00    -0.191 NA
ATOM     18  C   LIG    1       -1.692   4.787   0.352  0.00  0.00    +0.102 C 
ENDBRANCH   1  18
BRANCH   4  19
ATOM     19  N   LIG    1       -1.234  -0.014  -0.653  0.00  0.00    -0.309 N 
ATOM     20  H   LIG    1       -0.547  -0.649  -1.083  0.00  0.00    +0.152 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.515  -0.587  -0.554  0.00  0.00    +0.067 A 
ATOM     22  C   LIG    1       -2.850  -1.653  -1.408  0.00  0.00    +0.145 A 
ATOM     23  F   LIG    1       -1.932  -2.115  -2.272  0.00  0.00    -0.204 F 
ATOM     24  C   LIG    1       -4.106  -2.255  -1.391  0.00  0.00    +0.054 A 
ATOM     25  C   LIG    1       -5.066  -1.786  -0.502  0.00  0.00    +0.016 A 
ATOM     26  I   LIG    1       -6.948  -2.663  -0.454  0.00  0.00    -0.044 I 
ATOM     27  C   LIG    1       -4.769  -0.730   0.359  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1       -3.500  -0.136   0.329  0.00  0.00    +0.027 A 
ENDBRANCH  19  21
ENDBRANCH   4  19
TORSDOF 8