REMARK  Name = BDB060638
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.273   1.371  -0.688  0.00  0.00    +0.079 C 
ATOM      2  C   LIG    1       -0.768   0.181   0.156  0.00  0.00    +0.053 C 
ATOM      3  C   LIG    1        0.391  -0.805  -0.016  0.00  0.00    +0.095 C 
ATOM      4  N   LIG    1        1.599   0.022   0.138  0.00  0.00    -0.293 NA
ATOM      5  C   LIG    1        1.267   1.326  -0.473  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -2.093  -0.406  -0.250  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -3.222  -0.625   0.607  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -4.243  -1.183  -0.167  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -5.495  -1.518   0.374  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -5.711  -1.278   1.733  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -4.712  -0.723   2.527  0.00  0.00    +0.001 A 
ATOM     12  N   LIG    1       -3.752  -1.304  -1.448  0.00  0.00    -0.349 N 
ATOM     13  C   LIG    1       -4.490  -1.837  -2.572  0.00  0.00    +0.149 C 
ATOM     14  C   LIG    1       -3.468  -0.394   1.978  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -2.464  -0.846  -1.508  0.00  0.00    +0.090 A 
ENDBRANCH   2   6
BRANCH   4  16
ATOM     16  C   LIG    1        2.812  -0.606  -0.405  0.00  0.00    +0.090 C 
ATOM     17  C   LIG    1        4.150  -0.019  -0.002  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        5.074  -1.043   0.276  0.00  0.00    -0.040 A 
ATOM     19  C   LIG    1        6.394  -0.777   0.621  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        6.810   0.551   0.687  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        5.914   1.581   0.379  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        4.466  -2.393   0.074  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1        4.595   1.292   0.021  0.00  0.00    +0.128 A 
ATOM     24  F   LIG    1        3.808   2.312  -0.339  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1        2.983  -2.046   0.165  0.00  0.00    +0.028 C 
ENDBRANCH   4  16
BRANCH   1  27
ATOM     26  C   LIG    1       -2.171   2.843  -1.127  0.00  0.00    +0.104 C 
ATOM     27  N   LIG    1       -0.856   2.719  -0.497  0.00  0.00    -0.304 NA
ATOM     28  C   LIG    1       -0.940   3.135   0.903  0.00  0.00    +0.104 C 
ENDBRANCH   1  27
TORSDOF 3