REMARK  Name = BDB055263
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.244   0.240  -0.355  0.00  0.00    -0.009 A 
ATOM      2  C   LIG    1       -1.077   0.263   0.419  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1        0.126   0.709  -0.132  0.00  0.00    +0.144 A 
ATOM      4  O   LIG    1        1.206   0.685   0.703  0.00  0.00    -0.473 OA
ATOM      5  C   LIG    1        2.433   1.158   0.157  0.00  0.00    +0.292 C 
ATOM      6  C   LIG    1        2.529   1.606  -1.320  0.00  0.00    +0.263 C 
ATOM      7  N   LIG    1        1.359   1.573  -2.026  0.00  0.00    -0.279 N 
ATOM      8  H   LIG    1        1.407   1.860  -2.995  0.00  0.00    +0.155 HD
ATOM      9  O   LIG    1        3.566   2.003  -1.850  0.00  0.00    -0.271 OA
ATOM     10  C   LIG    1        0.167   1.131  -1.460  0.00  0.00    +0.076 A 
ATOM     11  C   LIG    1       -0.989   1.110  -2.241  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -2.193   0.664  -1.688  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1       -4.219  -2.211  -1.333  0.00  0.00    +0.070 C 
ATOM     14  C   LIG    1       -4.365  -1.270  -0.198  0.00  0.00    +0.088 A 
ATOM     15  C   LIG    1       -3.492  -0.227   0.209  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1       -4.111   0.314   1.315  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1       -3.806   1.420   2.243  0.00  0.00    +0.090 C 
ATOM     18  O   LIG    1       -5.268  -0.361   1.554  0.00  0.00    -0.359 OA
ATOM     19  N   LIG    1       -5.434  -1.351   0.604  0.00  0.00    -0.083 NA
ENDBRANCH   1  15
BRANCH   5  20
ATOM     20  C   LIG    1        3.490   0.125   0.491  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        3.546  -1.085  -0.207  0.00  0.00    +0.131 A 
ATOM     22  F   LIG    1        2.666  -1.334  -1.188  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        4.501  -2.052   0.092  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1        5.423  -1.821   1.111  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        5.380  -0.623   1.826  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        4.419   0.345   1.521  0.00  0.00    +0.010 A 
ENDBRANCH   5  20
TORSDOF 2