REMARK  Name = BDB020635
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.898  -0.446   0.007  0.00  0.00    +0.110 A 
ATOM      2  N   LIG    1       -1.621  -1.569   0.841  0.00  0.00    -0.304 N 
ATOM      3  C   LIG    1       -0.443  -1.730   1.564  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -0.509  -2.913   2.269  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -1.759  -3.506   1.983  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        0.544  -0.717   1.451  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1        0.313   0.345   0.656  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1       -2.419  -2.668   1.112  0.00  0.00    +0.093 A 
ATOM      9  C   LIG    1       -0.942   0.517  -0.094  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -1.085   1.780  -0.898  0.00  0.00    +0.048 C 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        1.437   1.319   0.580  0.00  0.00    +0.245 C 
ATOM     12  N   LIG    1        2.104   1.273  -0.617  0.00  0.00    -0.307 N 
ATOM     13  H   LIG    1        1.858   0.562  -1.297  0.00  0.00    +0.149 HD
ATOM     14  O   LIG    1        1.733   2.042   1.522  0.00  0.00    -0.270 OA
BRANCH  12  15
ATOM     15  C   LIG    1        3.319   2.017  -0.858  0.00  0.00    +0.145 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.500   1.124  -0.609  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        4.761   0.122  -1.695  0.00  0.00    +0.254 A 
ATOM     18  O   LIG    1        4.028   0.019  -2.676  0.00  0.00    -0.268 OA
ATOM     19  N   LIG    1        5.856  -0.688  -1.537  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1        6.012  -1.357  -2.280  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1        6.699  -0.652  -0.455  0.00  0.00    +0.016 A 
ATOM     22  C   LIG    1        7.836  -1.625  -0.441  0.00  0.00    +0.063 C 
ATOM     23  C   LIG    1        6.463   0.234   0.524  0.00  0.00    +0.024 A 
ATOM     24  C   LIG    1        5.338   1.157   0.452  0.00  0.00    -0.039 A 
ATOM     25  C   LIG    1        5.221   2.085   1.630  0.00  0.00    +0.044 C 
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   7  11
BRANCH   1  26
ATOM     26  N   LIG    1       -3.139  -0.430  -0.655  0.00  0.00    -0.313 N 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.271   0.468  -0.275  0.00  0.00    +0.079 C 
ATOM     28  C   LIG    1       -5.604  -0.306  -0.312  0.00  0.00    +0.050 C 
ATOM     29  C   LIG    1       -6.639   0.344   0.592  0.00  0.00    +0.161 C 
ATOM     30  O   LIG    1       -6.247   0.349   1.962  0.00  0.00    -0.380 OA
ATOM     31  C   LIG    1       -4.836   0.398   2.184  0.00  0.00    +0.161 C 
ATOM     32  C   LIG    1       -4.108   1.165   1.092  0.00  0.00    +0.050 C 
ENDBRANCH  26  27
BRANCH  26  34
ATOM     33  C   LIG    1       -3.077  -0.259  -3.142  0.00  0.00    +0.024 C 
ATOM     34  C   LIG    1       -3.250  -1.166  -1.935  0.00  0.00    +0.103 C 
ENDBRANCH  26  34
ENDBRANCH   1  26
TORSDOF 6