REMARK  Name = BDB029350
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.413   0.406   0.577  0.00  0.00    +0.242 A 
ATOM      2  C   LIG    1        1.776   0.260   0.277  0.00  0.00    +0.136 A 
ATOM      3  C   LIG    1        2.535  -0.411   1.251  0.00  0.00    +0.008 A 
ATOM      4  C   LIG    1        3.905  -0.591   1.019  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        4.502  -0.117  -0.156  0.00  0.00    +0.098 A 
ATOM      6  C   LIG    1        3.678   0.533  -1.066  0.00  0.00    +0.228 A 
ATOM      7  C   LIG    1        1.928  -0.885   2.423  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        0.572  -0.683   2.599  0.00  0.00    +0.115 A 
ATOM      9  N   LIG    1        2.349   0.720  -0.865  0.00  0.00    -0.207 NA
ATOM     10  N   LIG    1       -0.203  -0.050   1.701  0.00  0.00    -0.219 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        5.962  -0.349  -0.325  0.00  0.00    +0.247 C 
ATOM     12  O   LIG    1        6.611  -0.934   0.536  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        6.576   0.097  -1.457  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        7.568  -0.067  -1.563  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        6.075   0.583  -2.193  0.00  0.00    +0.145 HD
ENDBRANCH   5  11
BRANCH   6  16
ATOM     16  O   LIG    1        4.221   1.017  -2.241  0.00  0.00    -0.479 OA
ATOM     17  C   LIG    1        3.272   1.662  -3.090  0.00  0.00    +0.279 C 
ENDBRANCH   6  16
BRANCH   1  18
ATOM     18  O   LIG    1       -0.360   1.055  -0.376  0.00  0.00    -0.473 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -1.731   1.248  -0.014  0.00  0.00    +0.253 C 
BRANCH  19  27
ATOM     20  C   LIG    1       -4.028   0.134   0.141  0.00  0.00    +0.055 C 
ATOM     21  C   LIG    1       -4.696   0.793  -1.079  0.00  0.00    +0.256 C 
ATOM     22  F   LIG    1       -6.024   0.520  -1.118  0.00  0.00    -0.235 F 
ATOM     23  C   LIG    1       -3.895   0.255  -2.248  0.00  0.00    +0.248 C 
ATOM     24  O   LIG    1       -4.196   0.268  -3.429  0.00  0.00    -0.273 OA
ATOM     25  N   LIG    1       -2.699  -0.224  -1.745  0.00  0.00    -0.306 N 
ATOM     26  H   LIG    1       -1.960  -0.545  -2.360  0.00  0.00    +0.149 HD
ATOM     27  C   LIG    1       -2.566  -0.011  -0.320  0.00  0.00    +0.117 C 
BRANCH  20  29
ATOM     28  C   LIG    1       -4.131  -1.834   1.766  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1       -4.679  -1.222   0.483  0.00  0.00    +0.005 C 
ENDBRANCH  20  29
ENDBRANCH  19  27
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6