REMARK  Name = BDB056754
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.100   1.719   1.079  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1        0.002   1.083  -0.214  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1        0.868   0.136  -0.709  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.358  -0.165  -1.969  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1        1.005  -1.118  -2.771  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        2.157  -1.744  -2.280  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        2.660  -1.412  -1.022  0.00  0.00    +0.131 A 
ATOM      8  N   LIG    1       -0.772   0.564  -2.229  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        2.016  -0.481  -0.193  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1       -0.982   1.304  -1.155  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1        3.781  -2.096  -0.600  0.00  0.00    -0.456 OA
BRANCH  11  12
ATOM     12  C   LIG    1        4.838  -1.347  -0.133  0.00  0.00    +0.134 A 
ATOM     13  C   LIG    1        5.509  -1.839   0.986  0.00  0.00    +0.084 A 
ATOM     14  C   LIG    1        6.605  -1.144   1.486  0.00  0.00    +0.130 A 
ATOM     15  F   LIG    1        7.242  -1.610   2.568  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        7.051   0.024   0.882  0.00  0.00    +0.077 A 
ATOM     17  C   LIG    1        6.387   0.491  -0.244  0.00  0.00    +0.130 A 
ATOM     18  F   LIG    1        6.814   1.610  -0.843  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1        5.288  -0.185  -0.766  0.00  0.00    +0.084 A 
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  20
ATOM     20  C   LIG    1       -2.123   2.252  -0.974  0.00  0.00    +0.303 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.817   1.938   0.238  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -3.813   1.002   0.193  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1       -4.607   0.945   1.341  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1       -5.649   0.017   1.433  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1       -5.922  -0.845   0.367  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -5.124  -0.796  -0.775  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -4.068   0.119  -0.858  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -6.463  -0.006   2.668  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1       -6.811   1.001   3.257  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -6.735  -1.257   3.095  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1       -6.251  -1.961   2.623  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  10  20
TORSDOF 7