REMARK  Name = BDB025444
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.879  -0.986  -1.587  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -0.646  -0.977  -0.914  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1        0.489  -1.769  -1.198  0.00  0.00    +0.257 C 
ATOM      4  O   LIG    1        0.448  -2.569  -2.136  0.00  0.00    -0.270 OA
ATOM      5  N   LIG    1       -0.648  -0.062   0.099  0.00  0.00    -0.166 NA
ATOM      6  C   LIG    1       -1.844   0.521   0.029  0.00  0.00    +0.082 A 
ATOM      7  C   LIG    1       -2.284   1.634   0.931  0.00  0.00    +0.138 C 
ATOM      8  N   LIG    1       -3.766   1.733   0.934  0.00  0.00    -0.310 NA
ATOM      9  H   LIG    1       -4.122   0.900   1.403  0.00  0.00    +0.122 HD
ATOM     10  C   LIG    1       -4.300   1.760  -0.446  0.00  0.00    +0.086 C 
ATOM     11  C   LIG    1       -4.036   0.455  -1.236  0.00  0.00    +0.055 C 
ATOM     12  C   LIG    1       -2.647  -0.015  -0.999  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1        1.718  -1.591  -0.328  0.00  0.00    +0.113 C 
ATOM     14  C   LIG    1        2.360  -0.214  -0.351  0.00  0.00    -0.014 A 
ATOM     15  C   LIG    1        2.951   0.298   0.819  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1        3.492   1.590   0.795  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1        3.535   2.330  -0.388  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        3.020   1.791  -1.562  0.00  0.00    +0.000 A 
ATOM     19  N   LIG    1        2.902  -0.395   2.039  0.00  0.00    -0.344 N 
ATOM     20  H   LIG    1        3.660  -0.126   2.661  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1        2.706  -1.833   1.947  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1        2.438   0.524  -1.546  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        1.492  -2.137   1.087  0.00  0.00    +0.036 C 
ENDBRANCH   3  13
BRANCH   1  24
ATOM     24  N   LIG    1       -2.174  -1.827  -2.605  0.00  0.00    -0.343 N 
ATOM     25  H   LIG    1       -1.432  -2.399  -3.021  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1       -2.964  -1.664  -3.221  0.00  0.00    +0.144 HD
ENDBRANCH   1  24
TORSDOF 2