REMARK  Name = BDB040689
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.487  -0.162   0.087  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1        4.675  -1.076   0.756  0.00  0.00    +0.132 A 
ATOM      3  F   LIG    1        5.147  -2.296   1.051  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        3.374  -0.753   1.143  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1        2.837   0.508   0.863  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        3.651   1.436   0.206  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        4.950   1.098  -0.173  0.00  0.00    +0.132 A 
ATOM      8  F   LIG    1        5.697   2.023  -0.796  0.00  0.00    -0.205 F 
ENDROOT
BRANCH   1  15
ATOM      9  O   LIG    1       10.631   0.214  -1.945  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        9.524   0.046  -1.443  0.00  0.00    +0.219 C 
ATOM     11  N   LIG    1        8.398  -0.044  -2.222  0.00  0.00    -0.256 N 
ATOM     12  H   LIG    1        8.543   0.041  -3.219  0.00  0.00    +0.157 HD
ATOM     13  C   LIG    1        7.120  -0.366  -1.830  0.00  0.00    +0.227 C 
ATOM     14  O   LIG    1        6.250  -0.570  -2.675  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        6.893  -0.535  -0.329  0.00  0.00    +0.111 C 
ATOM     16  C   LIG    1        7.934   0.256   0.471  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1        9.333  -0.153   0.040  0.00  0.00    +0.097 C 
ENDBRANCH   1  15
BRANCH   5  18
ATOM     18  N   LIG    1        1.528   0.844   1.259  0.00  0.00    -0.326 N 
ATOM     19  C   LIG    1        0.435  -0.061   1.501  0.00  0.00    +0.129 C 
ATOM     20  C   LIG    1       -0.494   1.167   1.429  0.00  0.00    +0.111 C 
ATOM     21  C   LIG    1        0.668   1.830   0.666  0.00  0.00    +0.129 C 
BRANCH  20  22
ATOM     22  N   LIG    1       -1.733   0.991   0.654  0.00  0.00    -0.275 N 
ATOM     23  H   LIG    1       -1.950   1.549  -0.160  0.00  0.00    +0.152 HD
ATOM     24  C   LIG    1       -2.689   0.080   0.990  0.00  0.00    +0.401 C 
ATOM     25  O   LIG    1       -2.626  -0.690   1.936  0.00  0.00    -0.226 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -3.711   0.163   0.105  0.00  0.00    -0.450 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -4.784  -0.755   0.358  0.00  0.00    +0.237 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.861  -0.544  -0.707  0.00  0.00    +0.030 C 
ATOM     29  C   LIG    1       -7.061  -1.508  -0.550  0.00  0.00    -0.004 C 
ATOM     30  C   LIG    1       -7.984  -0.747   0.404  0.00  0.00    +0.007 C 
ATOM     31  C   LIG    1       -8.028   0.497  -0.480  0.00  0.00    -0.010 C 
ATOM     32  C   LIG    1       -8.527  -0.079  -1.816  0.00  0.00    +0.004 C 
ATOM     33  C   LIG    1       -7.882  -1.473  -1.853  0.00  0.00    +0.004 C 
ATOM     34  C   LIG    1       -6.534   0.845  -0.606  0.00  0.00    +0.010 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  20  22
ENDBRANCH   5  18
TORSDOF 6