REMARK  Name = BDB029451
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.782  -0.819   0.719  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1        0.593  -0.779   0.389  0.00  0.00    +0.045 A 
ATOM      3  C   LIG    1        1.131  -1.868  -0.317  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        0.342  -2.973  -0.664  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -1.006  -3.007  -0.306  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -1.566  -1.937   0.391  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1       -2.654   0.750   1.151  0.00  0.00    -0.191 N 
ATOM      8  H   LIG    1       -2.845   1.669   1.542  0.00  0.00    +0.183 HD
ATOM      9  C   LIG    1       -1.391   0.308   1.476  0.00  0.00    +0.268 C 
ATOM     10  O   LIG    1       -0.764   0.826   2.400  0.00  0.00    -0.268 OA
BRANCH   7  11
ATOM     11  O   LIG    1       -3.027   0.611  -0.209  0.00  0.00    -0.280 OA
BRANCH  11  13
ATOM     12  C   LIG    1       -5.311   1.388  -0.300  0.00  0.00    +0.036 C 
ATOM     13  C   LIG    1       -4.390   0.183  -0.277  0.00  0.00    +0.187 C 
ENDBRANCH  11  13
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   2  14
ATOM     14  N   LIG    1        1.375   0.349   0.716  0.00  0.00    -0.312 N 
ATOM     15  H   LIG    1        1.063   0.813   1.579  0.00  0.00    +0.152 HD
BRANCH  14  16
ATOM     16  C   LIG    1        2.569   0.882   0.198  0.00  0.00    +0.067 A 
ATOM     17  C   LIG    1        3.403   1.639   1.038  0.00  0.00    +0.145 A 
ATOM     18  F   LIG    1        3.030   1.860   2.309  0.00  0.00    -0.204 F 
ATOM     19  C   LIG    1        4.614   2.170   0.600  0.00  0.00    +0.054 A 
ATOM     20  C   LIG    1        5.013   1.947  -0.713  0.00  0.00    +0.016 A 
ATOM     21  I   LIG    1        6.812   2.729  -1.395  0.00  0.00    -0.044 I 
ATOM     22  C   LIG    1        4.206   1.205  -1.576  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1        2.992   0.676  -1.119  0.00  0.00    +0.027 A 
ENDBRANCH  14  16
ENDBRANCH   2  14
BRANCH   4  24
ATOM     24  C   LIG    1        0.924  -4.073  -1.377  0.00  0.00    +0.099 C 
ATOM     25  N   LIG    1        1.390  -4.963  -1.958  0.00  0.00    -0.191 NA
ENDBRANCH   4  24
TORSDOF 6