REMARK  Name = BDB017091
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.292  -2.056  -3.654  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -0.933  -1.601  -3.042  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -1.062  -0.632  -2.066  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -2.435  -0.565  -1.838  0.00  0.00    +0.115 A 
ATOM      5  N   LIG    1       -3.106  -1.452  -2.664  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -2.178  -2.057  -3.363  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.066   0.094  -1.493  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.973  -0.558  -0.646  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1        2.065   0.131  -0.093  0.00  0.00    +0.073 A 
ATOM     10  C   LIG    1        2.224   1.484  -0.400  0.00  0.00    +0.136 A 
ATOM     11  F   LIG    1        3.248   2.192   0.105  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1        1.330   2.144  -1.239  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1        0.253   1.449  -1.788  0.00  0.00    +0.013 A 
BRANCH   9  14
ATOM     14  C   LIG    1        3.010  -0.627   0.783  0.00  0.00    +0.251 C 
ATOM     15  N   LIG    1        3.962   0.120   1.453  0.00  0.00    -0.281 N 
ATOM     16  H   LIG    1        3.959   1.121   1.291  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        2.881  -1.846   0.843  0.00  0.00    -0.270 OA
BRANCH  15  18
ATOM     18  C   LIG    1        4.958  -0.343   2.339  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        5.129  -1.680   2.700  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1        6.145  -2.052   3.587  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        6.999  -1.090   4.120  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        6.838   0.247   3.768  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        5.823   0.618   2.882  0.00  0.00    +0.023 A 
ENDBRANCH  15  18
ENDBRANCH   9  14
ENDBRANCH   3   7
BRANCH   4  24
ATOM     24  C   LIG    1       -3.142   0.284  -0.876  0.00  0.00    +0.092 A 
ATOM     25  N   LIG    1       -2.402   1.061  -0.046  0.00  0.00    -0.253 NA
ATOM     26  C   LIG    1       -3.059   1.829   0.847  0.00  0.00    +0.112 A 
ATOM     27  C   LIG    1       -4.436   1.872   0.958  0.00  0.00    +0.031 A 
ATOM     28  C   LIG    1       -5.195   1.074   0.101  0.00  0.00    +0.026 A 
ATOM     29  C   LIG    1       -4.532   0.267  -0.829  0.00  0.00    +0.041 A 
BRANCH  28  30
ATOM     30  C   LIG    1       -6.648   1.085   0.181  0.00  0.00    +0.204 A 
ATOM     31  N   LIG    1       -7.467   0.356  -0.597  0.00  0.00    -0.133 NA
ATOM     32  N   LIG    1       -8.658   0.736  -0.112  0.00  0.00    -0.176 N 
ATOM     33  H   LIG    1       -9.533   0.369  -0.476  0.00  0.00    +0.214 HD
ATOM     34  N   LIG    1       -8.630   1.631   0.881  0.00  0.00    -0.049 NA
ATOM     35  N   LIG    1       -7.341   1.865   1.081  0.00  0.00    -0.108 NA
ENDBRANCH  28  30
ENDBRANCH   4  24
TORSDOF 5