REMARK  Name = BDB042492
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.007  -0.425   1.931  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        2.402  -0.009   2.418  0.00  0.00    +0.054 C 
BRANCH   2  11
ATOM      3  O   LIG    1        4.762   2.632  -0.700  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1        4.616   1.504  -0.245  0.00  0.00    +0.259 A 
ATOM      5  C   LIG    1        5.390   0.331  -0.714  0.00  0.00    +0.082 A 
ATOM      6  C   LIG    1        5.145  -0.917  -0.118  0.00  0.00    -0.008 A 
ATOM      7  C   LIG    1        5.867  -2.040  -0.546  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        6.823  -1.918  -1.557  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        7.061  -0.675  -2.144  0.00  0.00    +0.039 A 
ATOM     10  C   LIG    1        4.139  -1.038   0.940  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        3.446   0.043   1.332  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        6.346   0.444  -1.721  0.00  0.00    +0.136 A 
ATOM     13  F   LIG    1        6.608   1.616  -2.314  0.00  0.00    -0.205 F 
ATOM     14  N   LIG    1        3.695   1.267   0.756  0.00  0.00    -0.326 N 
ATOM     15  H   LIG    1        3.190   2.090   1.063  0.00  0.00    +0.169 HD
ENDBRANCH   2  11
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1        0.397   0.557   0.920  0.00  0.00    +0.085 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -0.952   0.151   0.495  0.00  0.00    -0.298 NA
ATOM     18  C   LIG    1       -1.974   0.425   1.518  0.00  0.00    +0.089 C 
ATOM     19  C   LIG    1       -3.337  -0.152   1.093  0.00  0.00    +0.051 C 
ATOM     20  C   LIG    1       -3.703   0.214  -0.325  0.00  0.00    -0.042 C 
ATOM     21  C   LIG    1       -2.750   0.668  -1.161  0.00  0.00    -0.008 C 
ATOM     22  C   LIG    1       -1.310   0.833  -0.762  0.00  0.00    +0.112 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -5.106   0.051  -0.756  0.00  0.00    -0.022 A 
ATOM     24  C   LIG    1       -5.837  -1.092  -0.394  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1       -7.170  -1.242  -0.786  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1       -7.779  -0.247  -1.538  0.00  0.00    +0.123 A 
ATOM     27  F   LIG    1       -9.057  -0.390  -1.912  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1       -7.082   0.897  -1.904  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1       -5.749   1.046  -1.512  0.00  0.00    +0.011 A 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5