REMARK  Name = BDB028446
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.035   0.982  -2.405  0.00  0.00    +0.077 A 
ATOM      2  N   LIG    1        0.024   1.289  -3.748  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1        1.029   0.873  -4.699  0.00  0.00    +0.173 C 
ATOM      4  N   LIG    1       -0.971   2.095  -4.162  0.00  0.00    -0.179 NA
ATOM      5  C   LIG    1       -1.664   2.345  -3.051  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1       -1.144   1.668  -1.928  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   6   7
ATOM      7  C   LIG    1       -1.595   1.680  -0.550  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -1.897   0.479   0.110  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -2.315   0.491   1.446  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -2.431   1.707   2.115  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -2.852   1.716   3.525  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1       -3.091   0.488   4.090  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -3.398   0.472   5.058  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -3.008  -0.715   3.462  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1       -2.970   2.764   4.150  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -2.146   2.911   1.460  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -2.650  -0.739   2.210  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1       -1.731   2.895   0.128  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -2.588  -2.104   1.522  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.795  -2.306   0.719  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1       -3.850  -1.637  -0.045  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -3.782  -3.235   0.300  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6   7
BRANCH   1  26
ATOM     23  C   LIG    1        2.757  -1.538  -0.353  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1        2.807  -0.159  -0.162  0.00  0.00    +0.065 A 
ATOM     25  C   LIG    1        1.909   0.688  -0.836  0.00  0.00    +0.064 A 
ATOM     26  C   LIG    1        0.948   0.148  -1.710  0.00  0.00    +0.018 A 
ATOM     27  C   LIG    1        0.904  -1.240  -1.894  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1        1.802  -2.071  -1.221  0.00  0.00    +0.046 A 
BRANCH  25  29
ATOM     29  C   LIG    1        2.008   2.103  -0.606  0.00  0.00    +0.100 C 
ATOM     30  N   LIG    1        2.117   3.240  -0.405  0.00  0.00    -0.191 NA
ENDBRANCH  25  29
BRANCH  23  31
ATOM     31  O   LIG    1        3.558  -2.470   0.240  0.00  0.00    -0.492 OA
BRANCH  31  33
ATOM     32  C   LIG    1        4.095  -1.871   2.531  0.00  0.00    +0.048 C 
ATOM     33  C   LIG    1        4.606  -2.044   1.111  0.00  0.00    +0.225 C 
ENDBRANCH  31  33
ENDBRANCH  23  31
ENDBRANCH   1  26
TORSDOF 7