REMARK  Name = BDB028154
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.614   0.922   0.840  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -1.377   0.210  -0.106  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -2.745  -0.025   0.101  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -3.356   0.451   1.256  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -4.791   0.200   1.466  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -5.432  -0.503   0.476  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -6.423  -0.685   0.604  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -4.866  -0.981  -0.664  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -5.368   0.601   2.470  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -2.618   1.159   2.207  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -3.596  -0.767  -0.864  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -1.257   1.392   1.998  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1        3.076   0.379   0.130  0.00  0.00    -0.026 A 
ATOM     14  C   LIG    1        1.713   0.125   0.338  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        0.819   1.167   0.621  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        1.364   2.450   0.680  0.00  0.00    +0.119 A 
ATOM     17  N   LIG    1        2.671   2.743   0.487  0.00  0.00    -0.262 NA
ATOM     18  C   LIG    1        3.492   1.705   0.217  0.00  0.00    +0.114 A 
BRANCH  13  20
ATOM     19  C   LIG    1        4.682  -0.591  -1.549  0.00  0.00    +0.012 C 
ATOM     20  C   LIG    1        4.036  -0.752  -0.170  0.00  0.00    +0.014 C 
ATOM     21  C   LIG    1        5.103  -0.888   0.918  0.00  0.00    +0.012 C 
ENDBRANCH  13  20
ENDBRANCH   1  15
BRANCH  11  22
ATOM     22  C   LIG    1       -2.947  -1.303  -2.145  0.00  0.00    +0.136 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.926  -2.018  -2.973  0.00  0.00    -0.325 NA
ATOM     24  H   LIG    1       -4.704  -1.378  -3.152  0.00  0.00    +0.119 HD
ATOM     25  H   LIG    1       -4.355  -2.739  -2.389  0.00  0.00    +0.119 HD
ENDBRANCH  22  23
ENDBRANCH  11  22
TORSDOF 4