REMARK  Name = BDB042629
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.284  -1.357  -1.656  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.564   0.150  -1.597  0.00  0.00    +0.054 C 
BRANCH   2  10
ATOM      3  C   LIG    1       -3.796   2.082   2.836  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -4.872   1.764   1.832  0.00  0.00    -0.042 A 
ATOM      5  C   LIG    1       -4.580   1.234   0.554  0.00  0.00    -0.005 A 
ATOM      6  C   LIG    1       -5.638   0.960  -0.338  0.00  0.00    +0.082 A 
ATOM      7  C   LIG    1       -5.328   0.406  -1.680  0.00  0.00    +0.259 A 
ATOM      8  N   LIG    1       -3.996   0.191  -1.959  0.00  0.00    -0.326 N 
ATOM      9  H   LIG    1       -3.813  -0.180  -2.884  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -2.957   0.445  -1.098  0.00  0.00    +0.020 A 
ATOM     11  O   LIG    1       -6.186   0.144  -2.514  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1       -6.957   1.210   0.037  0.00  0.00    +0.136 A 
ATOM     13  F   LIG    1       -7.984   0.961  -0.787  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -7.246   1.731   1.293  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1       -3.202   0.955   0.119  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1       -6.211   2.007   2.185  0.00  0.00    +0.007 A 
ENDBRANCH   2  10
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        0.116  -1.680  -2.197  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.187  -1.083  -1.391  0.00  0.00    -0.293 NA
ATOM     19  C   LIG    1        1.440  -1.774  -0.101  0.00  0.00    +0.074 C 
ATOM     20  C   LIG    1        2.312  -0.837   0.790  0.00  0.00    +0.124 C 
ATOM     21  N   LIG    1        3.612  -0.509   0.149  0.00  0.00    -0.327 N 
ATOM     22  C   LIG    1        3.514  -0.231  -1.311  0.00  0.00    +0.124 C 
ATOM     23  C   LIG    1        2.220  -3.039  -0.483  0.00  0.00    +0.022 C 
ATOM     24  C   LIG    1        2.933  -2.662  -1.782  0.00  0.00    +0.022 C 
ATOM     25  C   LIG    1        2.524  -1.204  -2.026  0.00  0.00    +0.074 C 
BRANCH  21  26
ATOM     26  C   LIG    1        4.544   0.253   0.868  0.00  0.00    +0.030 A 
ATOM     27  C   LIG    1        5.842   0.467   0.364  0.00  0.00    +0.026 A 
ATOM     28  C   LIG    1        6.800   1.208   1.065  0.00  0.00    +0.040 A 
ATOM     29  C   LIG    1        6.477   1.742   2.301  0.00  0.00    +0.124 A 
ATOM     30  F   LIG    1        7.390   2.451   2.978  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        5.221   1.540   2.847  0.00  0.00    +0.040 A 
ATOM     32  C   LIG    1        4.270   0.795   2.138  0.00  0.00    +0.026 A 
ENDBRANCH  21  26
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 5