REMARK  Name = BDB040725
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.636   2.837   1.299  0.00  0.00    +0.111 C 
ATOM      2  C   LIG    1        0.657   2.703   2.127  0.00  0.00    +0.129 C 
ATOM      3  N   LIG    1        1.120   1.781   1.126  0.00  0.00    -0.326 N 
ATOM      4  C   LIG    1        0.220   2.308   0.132  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.442   1.338   0.923  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        3.366   1.323   1.974  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        4.670   0.870   1.768  0.00  0.00    +0.132 A 
ATOM      8  F   LIG    1        5.516   0.869   2.808  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1        5.099   0.413   0.524  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        4.167   0.418  -0.514  0.00  0.00    +0.132 A 
ATOM     11  F   LIG    1        4.523  -0.028  -1.728  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1        2.861   0.868  -0.326  0.00  0.00    +0.062 A 
BRANCH   9  13
ATOM     13  C   LIG    1        6.519  -0.067   0.323  0.00  0.00    +0.111 C 
ATOM     14  C   LIG    1        7.245   0.710  -0.774  0.00  0.00    +0.227 C 
ATOM     15  O   LIG    1        7.056   1.904  -0.996  0.00  0.00    -0.275 OA
ATOM     16  N   LIG    1        8.208   0.023  -1.475  0.00  0.00    -0.256 N 
ATOM     17  H   LIG    1        8.697   0.553  -2.183  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1        8.671  -1.249  -1.251  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1        9.626  -1.696  -1.879  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        7.999  -2.024  -0.145  0.00  0.00    +0.097 C 
ATOM     21  C   LIG    1        6.559  -1.573   0.040  0.00  0.00    +0.027 C 
ENDBRANCH   9  13
ENDBRANCH   3   5
BRANCH   1  23
ATOM     22  C   LIG    1       -2.941   1.919   1.084  0.00  0.00    +0.401 C 
ATOM     23  N   LIG    1       -1.734   1.936   1.714  0.00  0.00    -0.275 N 
ATOM     24  H   LIG    1       -1.557   1.137   2.309  0.00  0.00    +0.152 HD
ATOM     25  O   LIG    1       -3.290   2.697   0.210  0.00  0.00    -0.226 OA
BRANCH  22  26
ATOM     26  O   LIG    1       -3.686   0.895   1.569  0.00  0.00    -0.447 OA
BRANCH  26  29
ATOM     27  C   LIG    1       -6.297  -0.619  -0.036  0.00  0.00    +0.126 C 
ATOM     28  C   LIG    1       -5.037   0.165  -0.463  0.00  0.00    +0.076 C 
ATOM     29  C   LIG    1       -4.988   0.758   0.965  0.00  0.00    +0.183 C 
ATOM     30  C   LIG    1       -5.796  -0.479   1.419  0.00  0.00    +0.076 C 
BRANCH  27  31
ATOM     31  O   LIG    1       -6.409  -1.972  -0.521  0.00  0.00    -0.374 OA
BRANCH  31  33
ATOM     32  C   LIG    1       -8.310  -2.410  -1.919  0.00  0.00    +0.037 C 
ATOM     33  C   LIG    1       -6.815  -2.130  -1.883  0.00  0.00    +0.112 C 
ATOM     34  C   LIG    1       -6.021  -3.286  -2.473  0.00  0.00    +0.037 C 
ENDBRANCH  31  33
ENDBRANCH  27  31
ENDBRANCH  26  29
ENDBRANCH  22  26
ENDBRANCH   1  23
TORSDOF 7