REMARK  Name = BDB002548
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.593   1.384   0.674  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        2.674   2.295  -0.075  0.00  0.00    +0.088 C 
ATOM      3  C   LIG    1        2.906   2.312  -1.586  0.00  0.00    +0.029 C 
ATOM      4  C   LIG    1        1.184   2.034   0.268  0.00  0.00    +0.130 C 
ATOM      5  N   LIG    1        0.944   1.849   1.710  0.00  0.00    -0.293 N 
ATOM      6  C   LIG    1       -0.071   1.033   2.211  0.00  0.00    +0.263 C 
ATOM      7  O   LIG    1        0.019   0.520   3.326  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        2.100   2.126   2.566  0.00  0.00    +0.127 C 
ATOM      9  C   LIG    1        3.318   1.289   2.138  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -1.234   0.791   1.369  0.00  0.00    +0.106 A 
ATOM     11  N   LIG    1       -1.899  -0.428   1.276  0.00  0.00    -0.339 N 
ATOM     12  C   LIG    1       -1.370  -1.660   1.825  0.00  0.00    +0.149 C 
ATOM     13  C   LIG    1       -3.045  -0.284   0.516  0.00  0.00    +0.064 A 
ATOM     14  C   LIG    1       -3.017   0.991  -0.015  0.00  0.00    +0.066 A 
ATOM     15  C   LIG    1       -4.000   1.465  -0.975  0.00  0.00    +0.261 A 
ATOM     16  N   LIG    1       -4.977   0.530  -1.363  0.00  0.00    -0.311 N 
ATOM     17  C   LIG    1       -5.073  -0.788  -0.779  0.00  0.00    +0.054 A 
ATOM     18  C   LIG    1       -6.117  -1.659  -1.139  0.00  0.00    +0.026 A 
ATOM     19  C   LIG    1       -6.256  -2.906  -0.529  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -5.365  -3.296   0.462  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -4.316  -2.452   0.829  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -5.958   0.957  -2.347  0.00  0.00    +0.152 C 
ATOM     23  O   LIG    1       -3.940   2.611  -1.418  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1       -4.132  -1.215   0.197  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -1.923   1.677   0.558  0.00  0.00    +0.046 A 
ENDBRANCH   6  10
BRANCH   1  29
ATOM     26  C   LIG    1        6.769  -1.418  -1.825  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1        5.434  -1.262  -1.162  0.00  0.00    -0.049 A 
ATOM     28  C   LIG    1        5.102  -0.050  -0.540  0.00  0.00    +0.026 A 
ATOM     29  C   LIG    1        3.860   0.139   0.084  0.00  0.00    +0.030 A 
ATOM     30  C   LIG    1        2.948  -0.923   0.077  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1        3.264  -2.135  -0.541  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        4.502  -2.303  -1.160  0.00  0.00    +0.003 A 
ENDBRANCH   1  29
TORSDOF 2