REMARK  Name = BDB049290
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.228  -0.640   0.879  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1        0.872  -0.558   0.527  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1       -0.045  -1.435   1.138  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1        0.467  -2.342   2.057  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -0.568  -3.102   2.524  0.00  0.00    -0.345 N 
ATOM      6  H   LIG    1       -0.456  -3.835   3.209  0.00  0.00    +0.167 HD
ATOM      7  C   LIG    1       -1.740  -2.710   1.930  0.00  0.00    +0.093 A 
ATOM      8  N   LIG    1        1.746  -2.483   2.447  0.00  0.00    -0.237 NA
ATOM      9  C   LIG    1       -1.454  -1.670   1.062  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        2.580  -1.610   1.826  0.00  0.00    +0.121 A 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -2.471  -0.993   0.274  0.00  0.00    -0.015 A 
ATOM     12  C   LIG    1       -2.533   0.410   0.273  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1       -3.514   1.065  -0.498  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -4.406   0.297  -1.245  0.00  0.00    +0.046 A 
ATOM     15  N   LIG    1       -5.247   1.171  -1.897  0.00  0.00    -0.361 N 
ATOM     16  H   LIG    1       -5.997   0.893  -2.513  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1       -4.918   2.464  -1.585  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1       -4.369  -1.101  -1.261  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1       -3.849   2.430  -0.720  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1       -3.385  -1.730  -0.488  0.00  0.00    +0.010 A 
ENDBRANCH   9  11
BRANCH   1  24
ATOM     21  C   LIG    1        5.147   1.956  -0.871  0.00  0.00    +0.117 A 
ATOM     22  C   LIG    1        5.069   1.847   0.512  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        4.114   0.997   1.081  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        3.232   0.252   0.279  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1        3.336   0.387  -1.117  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        4.289   1.234  -1.688  0.00  0.00    +0.046 A 
BRANCH  21  27
ATOM     27  O   LIG    1        6.061   2.771  -1.469  0.00  0.00    -0.507 OA
ATOM     28  H   LIG    1        6.584   3.211  -0.779  0.00  0.00    +0.292 HD
ENDBRANCH  21  27
ENDBRANCH   1  24
TORSDOF 3