REMARK  Name = BDB055936
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.796   0.005  -0.635  0.00  0.00    -0.299 N 
ATOM      2  H   LIG    1       -2.098  -0.554  -1.430  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -2.653   1.141  -0.551  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1       -4.028   0.987  -0.237  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -4.822   2.135  -0.414  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1       -6.203   2.055  -0.294  0.00  0.00    -0.306 N 
ATOM      7  H   LIG    1       -6.721   2.899  -0.489  0.00  0.00    +0.170 HD
ATOM      8  C   LIG    1       -6.902   0.912  -0.037  0.00  0.00    +0.258 A 
ATOM      9  C   LIG    1       -6.111  -0.302   0.279  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -6.806  -1.456   0.680  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -6.106  -2.585   1.087  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.718  -2.549   1.118  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -4.030  -1.397   0.711  0.00  0.00    +0.009 A 
ATOM     14  O   LIG    1       -8.129   0.894  -0.043  0.00  0.00    -0.267 OA
ATOM     15  N   LIG    1       -4.374   3.358  -0.769  0.00  0.00    -0.237 NA
ATOM     16  C   LIG    1       -3.057   3.471  -0.998  0.00  0.00    +0.115 A 
ATOM     17  C   LIG    1       -4.702  -0.255   0.237  0.00  0.00    -0.000 A 
ATOM     18  C   LIG    1       -2.181   2.407  -0.929  0.00  0.00    +0.044 A 
ENDBRANCH   1   3
BRANCH   1  22
ATOM     19  C   LIG    1        2.374  -0.311  -0.229  0.00  0.00    +0.052 A 
ATOM     20  C   LIG    1        1.682   0.868   0.014  0.00  0.00    +0.136 A 
ATOM     21  N   LIG    1        0.336   1.007  -0.124  0.00  0.00    -0.238 NA
ATOM     22  C   LIG    1       -0.383  -0.052  -0.539  0.00  0.00    +0.123 A 
ATOM     23  C   LIG    1        0.233  -1.282  -0.775  0.00  0.00    +0.045 A 
ATOM     24  C   LIG    1        1.616  -1.409  -0.627  0.00  0.00    +0.028 A 
BRANCH  19  27
ATOM     25  O   LIG    1        4.456   1.697   0.329  0.00  0.00    -0.270 OA
ATOM     26  C   LIG    1        4.689   0.501   0.209  0.00  0.00    +0.248 C 
ATOM     27  N   LIG    1        3.766  -0.485  -0.088  0.00  0.00    -0.280 N 
ATOM     28  H   LIG    1        4.125  -1.407  -0.298  0.00  0.00    +0.155 HD
BRANCH  26  29
ATOM     29  C   LIG    1        6.096   0.029   0.344  0.00  0.00    +0.037 A 
ATOM     30  C   LIG    1        7.127   0.870  -0.092  0.00  0.00    +0.013 A 
ATOM     31  C   LIG    1        8.457   0.461   0.016  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        8.761  -0.782   0.570  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        7.739  -1.616   1.024  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1        6.406  -1.212   0.917  0.00  0.00    +0.013 A 
ENDBRANCH  26  29
ENDBRANCH  19  27
ENDBRANCH   1  22
TORSDOF 4