REMARK  Name = BDB042800
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.289   0.592   0.472  0.00  0.00    +0.088 C 
ATOM      2  C   LIG    1       -1.514   0.951  -0.407  0.00  0.00    +0.091 C 
ATOM      3  C   LIG    1       -2.382  -0.281  -0.651  0.00  0.00    +0.055 C 
ATOM      4  N   LIG    1       -3.052  -0.351  -1.747  0.00  0.00    -0.279 NA
ATOM      5  C   LIG    1       -3.910  -1.495  -2.062  0.00  0.00    +0.221 C 
ATOM      6  C   LIG    1       -4.146  -2.471  -0.935  0.00  0.00    +0.185 C 
ATOM      7  C   LIG    1       -3.313  -2.368   0.271  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1       -3.423  -3.318   1.289  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1       -2.638  -3.179   2.425  0.00  0.00    +0.126 A 
ATOM     10  F   LIG    1       -2.749  -4.072   3.416  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -1.739  -2.123   2.555  0.00  0.00    +0.062 A 
ATOM     12  C   LIG    1       -1.593  -1.189   1.524  0.00  0.00    +0.040 A 
ATOM     13  O   LIG    1       -4.985  -3.366  -1.010  0.00  0.00    -0.290 OA
ATOM     14  C   LIG    1       -2.422  -1.310   0.398  0.00  0.00    +0.028 A 
ATOM     15  N   LIG    1       -0.727  -0.104   1.697  0.00  0.00    -0.339 N 
ATOM     16  H   LIG    1        0.011  -0.263   2.380  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   2  17
ATOM     17  C   LIG    1       -2.281   2.151   0.144  0.00  0.00    -0.001 A 
ATOM     18  C   LIG    1       -1.748   3.434  -0.060  0.00  0.00    +0.130 A 
ATOM     19  F   LIG    1       -0.588   3.568  -0.722  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1       -2.376   4.578   0.415  0.00  0.00    +0.077 A 
ATOM     21  C   LIG    1       -3.563   4.444   1.116  0.00  0.00    +0.126 A 
ATOM     22  F   LIG    1       -4.181   5.537   1.584  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -4.120   3.191   1.347  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1       -3.481   2.045   0.865  0.00  0.00    +0.010 A 
ENDBRANCH   2  17
BRANCH   1  27
ATOM     25  N   LIG    1        2.982  -0.914  -0.491  0.00  0.00    -0.300 NA
ATOM     26  C   LIG    1        2.029  -0.520   0.545  0.00  0.00    +0.090 C 
ATOM     27  C   LIG    1        0.778  -0.235  -0.282  0.00  0.00    +0.025 C 
ATOM     28  C   LIG    1        1.351   0.461  -1.523  0.00  0.00    +0.022 C 
ATOM     29  C   LIG    1        2.829   0.074  -1.563  0.00  0.00    +0.085 C 
BRANCH  25  30
ATOM     30  C   LIG    1        4.357  -1.021   0.018  0.00  0.00    +0.112 C 
BRANCH  30  31
ATOM     31  C   LIG    1        5.379  -1.505  -1.032  0.00  0.00    +0.174 C 
BRANCH  31  33
ATOM     32  C   LIG    1        6.761   0.390  -1.447  0.00  0.00    +0.194 C 
ATOM     33  O   LIG    1        5.764  -0.484  -1.958  0.00  0.00    -0.382 OA
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  25  30
ENDBRANCH   1  27
TORSDOF 5