REMARK  Name = BDB056258
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.814   3.923  -1.143  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1        1.468   2.772  -1.627  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1        0.736   1.686  -2.137  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -0.656   1.700  -2.082  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -1.307   2.793  -1.503  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -0.582   3.897  -1.040  0.00  0.00    +0.036 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        2.950   2.729  -1.695  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        3.624   1.638  -1.145  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1        5.066   1.558  -1.362  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1        5.605   0.171  -1.040  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        5.364  -0.173   0.443  0.00  0.00    +0.060 C 
ATOM     12  C   LIG    1        4.022   0.392   0.958  0.00  0.00    +0.038 C 
ATOM     13  C   LIG    1        3.043   0.715  -0.167  0.00  0.00    +0.109 C 
ATOM     14  O   LIG    1        3.527   3.665  -2.249  0.00  0.00    -0.270 OA
BRANCH  11  15
ATOM     15  N   LIG    1        5.609  -1.605   0.668  0.00  0.00    -0.299 NA
ATOM     16  C   LIG    1        4.583  -2.533   0.201  0.00  0.00    +0.085 C 
ATOM     17  C   LIG    1        5.050  -3.855   0.789  0.00  0.00    +0.017 C 
ATOM     18  C   LIG    1        5.779  -3.479   2.074  0.00  0.00    +0.017 C 
ATOM     19  C   LIG    1        5.854  -1.958   2.067  0.00  0.00    +0.085 C 
ENDBRANCH  11  15
ENDBRANCH   2   7
BRANCH   5  20
ATOM     20  C   LIG    1       -2.783   2.829  -1.425  0.00  0.00    +0.247 C 
ATOM     21  N   LIG    1       -3.435   1.855  -0.664  0.00  0.00    -0.297 N 
ATOM     22  C   LIG    1       -4.883   1.946  -0.554  0.00  0.00    +0.109 C 
ATOM     23  C   LIG    1       -5.551   0.578  -0.432  0.00  0.00    +0.038 C 
ATOM     24  C   LIG    1       -4.703  -0.478   0.314  0.00  0.00    +0.060 C 
ATOM     25  C   LIG    1       -3.692   0.233   1.225  0.00  0.00    +0.038 C 
ATOM     26  C   LIG    1       -2.751   1.096   0.383  0.00  0.00    +0.109 C 
ATOM     27  O   LIG    1       -3.358   3.724  -2.038  0.00  0.00    -0.270 OA
BRANCH  24  28
ATOM     28  N   LIG    1       -5.569  -1.427   1.043  0.00  0.00    -0.299 NA
ATOM     29  C   LIG    1       -6.483  -2.167   0.162  0.00  0.00    +0.085 C 
ATOM     30  C   LIG    1       -7.010  -3.272   1.062  0.00  0.00    +0.017 C 
ATOM     31  C   LIG    1       -5.886  -3.537   2.053  0.00  0.00    +0.017 C 
ATOM     32  C   LIG    1       -4.836  -2.472   1.765  0.00  0.00    +0.085 C 
ENDBRANCH  24  28
ENDBRANCH   5  20
BRANCH   1  33
ATOM     33  N   LIG    1        1.518   4.996  -0.558  0.00  0.00    -0.357 N 
ATOM     34  H   LIG    1        1.014   5.878  -0.599  0.00  0.00    +0.142 HD
ATOM     35  H   LIG    1        2.452   5.092  -0.971  0.00  0.00    +0.142 HD
ENDBRANCH   1  33
TORSDOF 5