REMARK  Name = BDB049234
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.608   1.614  -1.137  0.00  0.00    +0.079 C 
ATOM      2  C   LIG    1       -0.617   0.592   0.027  0.00  0.00    +0.053 C 
ATOM      3  C   LIG    1        0.748  -0.092  -0.139  0.00  0.00    +0.095 C 
ATOM      4  N   LIG    1        1.629   1.038  -0.425  0.00  0.00    -0.293 NA
ATOM      5  C   LIG    1        0.902   1.934  -1.329  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.762  -0.385   0.024  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -2.658  -0.644   1.114  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -3.572  -1.614   0.693  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -4.595  -2.091   1.529  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -4.686  -1.569   2.822  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -3.788  -0.605   3.267  0.00  0.00    +0.001 A 
ATOM     12  N   LIG    1       -3.241  -1.938  -0.604  0.00  0.00    -0.349 N 
ATOM     13  C   LIG    1       -3.937  -2.908  -1.418  0.00  0.00    +0.149 C 
ATOM     14  C   LIG    1       -2.773  -0.136   2.426  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -2.157  -1.211  -1.014  0.00  0.00    +0.090 A 
ENDBRANCH   2   6
BRANCH   4  16
ATOM     16  C   LIG    1        3.003   0.757  -0.818  0.00  0.00    +0.090 C 
ATOM     17  C   LIG    1        3.820  -0.047   0.160  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        4.712  -0.890  -0.520  0.00  0.00    -0.040 A 
ATOM     19  C   LIG    1        5.611  -1.695   0.165  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        5.612  -1.653   1.562  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        4.737  -0.799   2.247  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        4.584  -0.723  -2.002  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1        3.849   0.012   1.542  0.00  0.00    +0.128 A 
ATOM     24  F   LIG    1        3.047   0.843   2.218  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1        3.197  -0.075  -2.112  0.00  0.00    +0.028 C 
ENDBRANCH   4  16
BRANCH   1  27
ATOM     26  C   LIG    1       -2.873   2.507  -1.297  0.00  0.00    +0.104 C 
ATOM     27  N   LIG    1       -1.461   2.823  -1.074  0.00  0.00    -0.304 NA
ATOM     28  C   LIG    1       -1.319   3.578   0.172  0.00  0.00    +0.104 C 
ENDBRANCH   1  27
TORSDOF 3