REMARK  Name = BDB042607
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.420  -0.925  -0.796  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.332  -1.361  -1.762  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        0.968  -1.001  -1.439  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1        1.351  -0.221  -0.257  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1        2.711   0.477  -0.411  0.00  0.00    +0.126 C 
ATOM      6  N   LIG    1        3.786  -0.438  -0.808  0.00  0.00    -0.298 N 
ATOM      7  C   LIG    1        5.144  -0.201  -0.634  0.00  0.00    +0.219 C 
ATOM      8  O   LIG    1        5.991  -1.003  -1.034  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1        3.381  -1.641  -1.547  0.00  0.00    +0.126 C 
ATOM     10  C   LIG    1        2.060  -1.460  -2.305  0.00  0.00    +0.126 C 
ATOM     11  O   LIG    1       -0.599  -1.995  -2.783  0.00  0.00    -0.276 OA
BRANCH   7  12
ATOM     12  C   LIG    1        5.553   1.077   0.106  0.00  0.00    +0.075 C 
ATOM     13  C   LIG    1        5.390   0.902   1.627  0.00  0.00    +0.013 C 
ATOM     14  C   LIG    1        6.771   1.121   2.238  0.00  0.00    +0.001 C 
ATOM     15  C   LIG    1        7.740   0.829   1.108  0.00  0.00    +0.001 C 
ATOM     16  C   LIG    1        7.035   1.421  -0.102  0.00  0.00    +0.013 C 
ENDBRANCH   7  12
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -2.779  -1.524  -1.167  0.00  0.00    +0.062 C 
BRANCH  17  25
ATOM     18  C   LIG    1       -6.974   1.753  -1.347  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -6.882   1.133   0.022  0.00  0.00    -0.042 A 
ATOM     20  C   LIG    1       -5.865   0.214   0.368  0.00  0.00    -0.005 A 
ATOM     21  C   LIG    1       -5.840  -0.331   1.669  0.00  0.00    +0.082 A 
ATOM     22  C   LIG    1       -4.773  -1.298   2.029  0.00  0.00    +0.259 A 
ATOM     23  N   LIG    1       -3.861  -1.597   1.040  0.00  0.00    -0.326 N 
ATOM     24  H   LIG    1       -3.160  -2.278   1.308  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -3.866  -1.067  -0.226  0.00  0.00    +0.020 A 
ATOM     26  O   LIG    1       -4.678  -1.817   3.134  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1       -6.808   0.034   2.603  0.00  0.00    +0.136 A 
ATOM     28  F   LIG    1       -6.811  -0.464   3.847  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -7.808   0.938   2.264  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -4.821  -0.196  -0.586  0.00  0.00    +0.030 A 
ATOM     31  C   LIG    1       -7.847   1.484   0.983  0.00  0.00    +0.007 A 
ENDBRANCH  17  25
ENDBRANCH   1  17
TORSDOF 4