REMARK  Name = BDB051253
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.193  -0.327   0.857  0.00  0.00    +0.095 A 
ATOM      2  N   LIG    1        0.913   0.174  -0.165  0.00  0.00    -0.164 NA
ATOM      3  N   LIG    1        2.193   0.098   0.244  0.00  0.00    -0.215 N 
ATOM      4  C   LIG    1        2.319  -0.438   1.499  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1        3.549  -0.600   2.094  0.00  0.00    -0.307 N 
ATOM      6  H   LIG    1        3.643  -0.996   3.022  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1        4.706  -0.222   1.438  0.00  0.00    +0.259 A 
ATOM      8  C   LIG    1        4.562   0.362   0.070  0.00  0.00    +0.065 A 
ATOM      9  C   LIG    1        5.697   0.762  -0.642  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        5.556   1.308  -1.922  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        4.288   1.456  -2.493  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        3.149   1.060  -1.791  0.00  0.00    +0.028 A 
ATOM     13  O   LIG    1        5.807  -0.361   1.959  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1        3.296   0.515  -0.513  0.00  0.00    +0.080 A 
ATOM     15  C   LIG    1        1.050  -0.725   1.927  0.00  0.00    +0.076 A 
ENDROOT
BRANCH   1  19
ATOM     16  C   LIG    1       -4.093  -0.568   0.630  0.00  0.00    +0.162 A 
ATOM     17  C   LIG    1       -3.355  -0.035  -0.443  0.00  0.00    +0.162 A 
ATOM     18  C   LIG    1       -1.958   0.037  -0.356  0.00  0.00    +0.059 A 
ATOM     19  C   LIG    1       -1.274  -0.413   0.787  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1       -2.023  -0.940   1.845  0.00  0.00    +0.014 A 
ATOM     21  C   LIG    1       -3.419  -1.017   1.769  0.00  0.00    +0.050 A 
BRANCH  16  23
ATOM     22  C   LIG    1       -6.232  -1.136   1.533  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1       -5.455  -0.605   0.469  0.00  0.00    -0.491 OA
ENDBRANCH  16  23
BRANCH  17  24
ATOM     24  O   LIG    1       -4.087   0.386  -1.527  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -3.377   0.930  -2.631  0.00  0.00    +0.277 C 
ENDBRANCH  17  24
ENDBRANCH   1  19
TORSDOF 3