REMARK  Name = BDB046567
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.053  -1.786   0.706  0.00  0.00    -0.047 A 
ATOM      2  C   LIG    1        1.886  -1.198   1.966  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1        0.606  -0.986   2.482  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1       -0.524  -1.349   1.740  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1       -0.363  -1.952   0.488  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        0.919  -2.165  -0.026  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.869  -1.089   2.328  0.00  0.00    +0.244 C 
ATOM      8  N   LIG    1       -2.901  -0.904   1.433  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1       -2.684  -0.770   0.453  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1       -2.007  -1.017   3.544  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1       -4.215  -0.505   1.876  0.00  0.00    +0.140 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -4.357   1.002   1.861  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1       -4.596   1.728   0.670  0.00  0.00    +0.059 A 
ATOM     14  C   LIG    1       -4.710   3.129   0.735  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1       -4.571   3.805   1.947  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.312   3.092   3.113  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -4.202   1.703   3.070  0.00  0.00    +0.006 A 
BRANCH  13  18
ATOM     18  C   LIG    1       -4.730   1.032  -0.665  0.00  0.00    +0.418 C 
ATOM     19  F   LIG    1       -5.823   0.223  -0.727  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -3.659   0.235  -0.952  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1       -4.841   1.885  -1.722  0.00  0.00    -0.166 F 
ENDBRANCH  13  18
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  22
ATOM     22  C   LIG    1        3.438  -1.986   0.130  0.00  0.00    +0.049 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.982  -0.714  -0.538  0.00  0.00    +0.102 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.232  -0.421  -1.827  0.00  0.00    +0.310 C 
ATOM     25  O   LIG    1        2.880  -1.266  -2.639  0.00  0.00    -0.251 OA
BRANCH  24  26
ATOM     26  O   LIG    1        3.023   0.920  -1.950  0.00  0.00    -0.465 OA
BRANCH  26  28
ATOM     27  C   LIG    1        0.797   1.245  -2.844  0.00  0.00    +0.048 C 
ATOM     28  C   LIG    1        2.288   1.334  -3.111  0.00  0.00    +0.229 C 
ENDBRANCH  26  28
ENDBRANCH  24  26
ENDBRANCH  23  24
BRANCH  23  29
ATOM     29  C   LIG    1        5.494  -0.767  -0.811  0.00  0.00    +0.011 C 
ATOM     30  C   LIG    1        5.966  -1.968  -1.620  0.00  0.00    +0.004 C 
ENDBRANCH  23  29
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 10