REMARK  Name = BDB059096
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.215  -0.300  -0.224  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1       -1.424  -1.454  -0.670  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1       -0.120  -1.008  -1.368  0.00  0.00    +0.127 C 
ATOM      4  N   LIG    1        0.708  -0.123  -0.533  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        0.008   0.517   0.597  0.00  0.00    +0.127 C 
ATOM      6  C   LIG    1       -1.453   0.872   0.249  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.083  -0.060  -0.607  0.00  0.00    +0.199 A 
ATOM      8  N   LIG    1        2.688  -0.504  -1.751  0.00  0.00    -0.295 N 
ATOM      9  H   LIG    1        2.138  -0.802  -2.537  0.00  0.00    +0.172 HD
ATOM     10  C   LIG    1        4.032  -0.451  -1.965  0.00  0.00    +0.256 A 
ATOM     11  O   LIG    1        4.542  -0.785  -3.028  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1        4.831   0.048  -0.834  0.00  0.00    +0.044 A 
ATOM     13  C   LIG    1        6.322   0.064  -0.974  0.00  0.00    +0.117 C 
ATOM     14  C   LIG    1        7.030   0.358   0.341  0.00  0.00    +0.253 C 
ATOM     15  C   LIG    1        6.325   1.416   1.168  0.00  0.00    +0.082 C 
ATOM     16  C   LIG    1        4.885   1.001   1.461  0.00  0.00    +0.062 C 
ATOM     17  F   LIG    1        8.302   0.763   0.089  0.00  0.00    -0.205 F 
ATOM     18  F   LIG    1        7.132  -0.783   1.071  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1        4.157   0.453   0.255  0.00  0.00    +0.054 A 
ATOM     20  N   LIG    1        2.792   0.420   0.372  0.00  0.00    -0.220 NA
ENDBRANCH   4   7
BRANCH   1  24
ATOM     21  C   LIG    1       -6.383  -0.567   0.515  0.00  0.00    +0.120 A 
ATOM     22  C   LIG    1       -5.762   0.670   0.396  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1       -4.381   0.747   0.153  0.00  0.00    +0.027 A 
ATOM     24  C   LIG    1       -3.576  -0.397   0.025  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1       -4.231  -1.631   0.141  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1       -5.609  -1.716   0.385  0.00  0.00    +0.047 A 
BRANCH  21  28
ATOM     27  C   LIG    1       -8.536   0.361   0.892  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -7.710  -0.788   0.749  0.00  0.00    -0.495 OA
ENDBRANCH  21  28
ENDBRANCH   1  24
TORSDOF 3