REMARK  Name = BDB029559
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.545   3.249   0.585  0.00  0.00    +0.017 C 
ATOM      2  C   LIG    1        1.946   1.906   1.047  0.00  0.00    +0.007 C 
ATOM      3  C   LIG    1        2.884   0.777   0.634  0.00  0.00    -0.028 A 
ATOM      4  C   LIG    1        2.711   0.156  -0.616  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        3.574  -0.874  -1.026  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1        4.640  -1.289  -0.224  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1        4.798  -0.684   1.024  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1        1.636   0.587  -1.556  0.00  0.00    +0.247 C 
ATOM      9  O   LIG    1        1.669   0.208  -2.724  0.00  0.00    -0.270 OA
ATOM     10  N   LIG    1        0.660   1.448  -1.052  0.00  0.00    -0.294 N 
ATOM     11  C   LIG    1        3.946   0.345   1.442  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        0.571   1.671   0.381  0.00  0.00    +0.119 C 
ATOM     13  C   LIG    1        1.708   1.973   2.571  0.00  0.00    +0.017 C 
ENDROOT
BRANCH   6  14
ATOM     14  N   LIG    1        5.443  -2.369  -0.653  0.00  0.00    -0.337 N 
ATOM     15  H   LIG    1        5.440  -2.442  -1.672  0.00  0.00    +0.147 HD
BRANCH  14  16
ATOM     16  C   LIG    1        6.703  -2.760  -0.071  0.00  0.00    +0.122 C 
ATOM     17  C   LIG    1        7.897  -1.942  -0.580  0.00  0.00    +0.184 C 
ATOM     18  O   LIG    1        8.348  -3.036  -1.418  0.00  0.00    -0.376 OA
ATOM     19  C   LIG    1        7.373  -3.923  -0.817  0.00  0.00    +0.184 C 
ENDBRANCH  14  16
ENDBRANCH   6  14
BRANCH  10  20
ATOM     20  C   LIG    1       -0.521   1.707  -1.880  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.726   0.760  -1.662  0.00  0.00    +0.146 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -1.322  -0.548  -1.243  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -2.127  -0.949  -0.856  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -2.740   1.323  -0.638  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -3.820   0.352  -0.338  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -4.528   0.763   0.895  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -5.747  -0.077   1.211  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -6.383  -0.831   0.210  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -7.527  -1.577   0.520  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -8.054  -1.554   1.811  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -7.439  -0.792   2.801  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.794  -0.887  -1.175  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -6.292  -0.055   2.503  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -4.795   0.249  -1.440  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH  10  20
TORSDOF 7