REMARK  Name = BDB016159
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.758   1.132  -0.061  0.00  0.00    +0.022 A 
ATOM      2  C   LIG    1        2.031   1.455   1.282  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1        0.942   1.731   2.119  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -0.361   1.796   1.615  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -0.621   1.557   0.260  0.00  0.00    -0.015 A 
ATOM      6  C   LIG    1        0.455   1.233  -0.575  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.998   1.598  -0.268  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -2.941   0.541  -0.024  0.00  0.00    +0.057 A 
ATOM      9  N   LIG    1       -2.504  -0.532   0.764  0.00  0.00    -0.339 N 
ATOM     10  H   LIG    1       -1.489  -0.621   0.769  0.00  0.00    +0.146 HD
ATOM     11  C   LIG    1       -3.147  -1.833   0.803  0.00  0.00    +0.076 C 
ATOM     12  C   LIG    1       -4.530  -1.729   1.393  0.00  0.00    +0.118 C 
ATOM     13  C   LIG    1       -5.556  -1.255   0.420  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -5.353  -0.159  -0.348  0.00  0.00    -0.284 N 
ATOM     15  H   LIG    1       -6.192   0.062  -0.871  0.00  0.00    +0.155 HD
ATOM     16  O   LIG    1       -6.650  -1.823   0.341  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -3.037  -2.575  -0.526  0.00  0.00    +0.028 C 
ATOM     18  C   LIG    1       -4.254   0.706  -0.525  0.00  0.00    +0.055 A 
ATOM     19  C   LIG    1       -4.563   1.834  -1.315  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1       -3.627   2.825  -1.581  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1       -2.354   2.712  -1.050  0.00  0.00    +0.010 A 
ENDBRANCH   5   7
BRANCH   1  22
ATOM     22  C   LIG    1        2.799   0.641  -1.002  0.00  0.00    +0.074 C 
ATOM     23  N   LIG    1        2.922   1.205  -2.164  0.00  0.00    -0.298 NA
ATOM     24  H   LIG    1        3.639   0.733  -2.727  0.00  0.00    +0.187 HD
BRANCH  22  26
ATOM     25  C   LIG    1        4.939  -0.442  -0.699  0.00  0.00    +0.078 C 
ATOM     26  C   LIG    1        3.605  -0.536  -0.553  0.00  0.00    +0.031 C 
BRANCH  25  28
ATOM     27  C   LIG    1        7.357  -1.010  -0.393  0.00  0.00    +0.125 C 
ATOM     28  N   LIG    1        5.945  -1.331  -0.394  0.00  0.00    -0.352 N 
ATOM     29  H   LIG    1        5.690  -2.158   0.142  0.00  0.00    +0.145 HD
ENDBRANCH  25  28
BRANCH  26  30
ATOM     30  C   LIG    1        2.986  -1.734   0.071  0.00  0.00    +0.112 C 
ATOM     31  N   LIG    1        1.759  -2.123  -0.048  0.00  0.00    -0.307 NA
ATOM     32  H   LIG    1        1.231  -1.494  -0.661  0.00  0.00    +0.186 HD
ENDBRANCH  26  30
ENDBRANCH  22  26
ENDBRANCH   1  22
BRANCH   2  33
ATOM     33  N   LIG    1        3.305   1.331   1.864  0.00  0.00    -0.357 N 
ATOM     34  H   LIG    1        3.403   1.847   2.735  0.00  0.00    +0.142 HD
ATOM     35  H   LIG    1        4.065   1.548   1.224  0.00  0.00    +0.142 HD
ENDBRANCH   2  33
TORSDOF 6