REMARK  Name = BDB029705
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.581   0.705  -1.158  0.00  0.00    -0.293 NA
ATOM      2  C   LIG    1       -1.136   0.986   0.215  0.00  0.00    +0.104 C 
ATOM      3  C   LIG    1        0.290   0.512   0.595  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        1.289   0.903  -0.428  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1        0.892   0.538  -1.802  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1       -0.529   1.045  -2.127  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.626   0.710  -0.045  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1        3.127   1.226   1.160  0.00  0.00    +0.134 A 
ATOM      9  N   LIG    1        4.397   1.094   1.619  0.00  0.00    -0.249 NA
ATOM     10  C   LIG    1        5.253   0.415   0.826  0.00  0.00    +0.125 A 
ATOM     11  C   LIG    1        4.889  -0.121  -0.402  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1        3.568   0.036  -0.832  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  C   LIG    1        6.653   0.266   1.321  0.00  0.00    +0.263 C 
ATOM     14  N   LIG    1        7.635   0.632   0.410  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1        7.357   1.142  -0.420  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        6.886  -0.150   2.451  0.00  0.00    -0.269 OA
BRANCH  14  17
ATOM     17  C   LIG    1        9.023   0.603   0.748  0.00  0.00    +0.073 C 
ATOM     18  C   LIG    1        9.880  -0.562   0.339  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1       10.073   0.775  -0.314  0.00  0.00    +0.024 C 
ENDBRANCH  14  17
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  C   LIG    1       -2.288  -0.560  -1.394  0.00  0.00    +0.085 C 
ATOM     21  C   LIG    1       -1.597  -1.830  -0.877  0.00  0.00    +0.029 C 
BRANCH  20  32
ATOM     22  C   LIG    1       -9.776  -0.260   1.493  0.00  0.00    +0.049 C 
ATOM     23  C   LIG    1       -8.344  -0.430   1.098  0.00  0.00    +0.016 A 
ATOM     24  C   LIG    1       -7.512  -1.321   1.969  0.00  0.00    +0.252 A 
ATOM     25  O   LIG    1       -7.981  -1.884   2.953  0.00  0.00    -0.268 OA
ATOM     26  N   LIG    1       -6.196  -1.485   1.618  0.00  0.00    -0.321 N 
ATOM     27  H   LIG    1       -5.651  -2.089   2.217  0.00  0.00    +0.169 HD
ATOM     28  C   LIG    1       -5.618  -0.865   0.503  0.00  0.00    +0.068 A 
ATOM     29  C   LIG    1       -6.390  -0.036  -0.307  0.00  0.00    +0.088 A 
ATOM     30  N   LIG    1       -5.913   0.600  -1.394  0.00  0.00    -0.253 NA
ATOM     31  C   LIG    1       -4.603   0.397  -1.676  0.00  0.00    +0.116 A 
ATOM     32  C   LIG    1       -3.740  -0.427  -0.942  0.00  0.00    -0.010 A 
ATOM     33  C   LIG    1       -4.278  -1.063   0.185  0.00  0.00    +0.034 A 
ATOM     34  C   LIG    1       -7.795   0.169   0.026  0.00  0.00    +0.038 A 
ENDBRANCH  20  32
ENDBRANCH   1  20
TORSDOF 5