REMARK  Name = BDB058805
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.420  -1.941   2.369  0.00  0.00    +0.110 A 
ATOM      2  N   LIG    1        2.386  -1.569   1.460  0.00  0.00    -0.239 N 
ATOM      3  N   LIG    1        3.508  -2.302   1.611  0.00  0.00    -0.065 NA
ATOM      4  N   LIG    1        3.306  -3.153   2.602  0.00  0.00    -0.134 NA
ATOM      5  C   LIG    1        2.037  -2.963   3.076  0.00  0.00    +0.089 A 
ATOM      6  C   LIG    1        1.522  -3.811   4.171  0.00  0.00    +0.070 C 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -1.772  -0.628   1.307  0.00  0.00    +0.124 A 
ATOM      8  N   LIG    1       -0.537  -1.175   1.293  0.00  0.00    -0.230 NA
ATOM      9  C   LIG    1        0.094  -1.359   2.475  0.00  0.00    +0.093 A 
ATOM     10  C   LIG    1       -0.469  -1.026   3.698  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -1.745  -0.480   3.705  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -2.406  -0.284   2.495  0.00  0.00    +0.044 A 
BRANCH   7  13
ATOM     13  N   LIG    1       -2.384  -0.480   0.061  0.00  0.00    -0.299 N 
ATOM     14  H   LIG    1       -1.778  -0.888  -0.644  0.00  0.00    +0.154 HD
BRANCH  13  18
ATOM     15  C   LIG    1       -4.360   4.096   0.301  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1       -4.186   2.780  -0.398  0.00  0.00    -0.048 A 
ATOM     17  C   LIG    1       -3.355   1.795   0.158  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1       -3.188   0.551  -0.462  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1       -3.884   0.306  -1.655  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1       -4.718   1.275  -2.230  0.00  0.00    -0.048 A 
ATOM     21  C   LIG    1       -5.483   0.973  -3.484  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1       -4.877   2.505  -1.583  0.00  0.00    +0.006 A 
ENDBRANCH  13  18
ENDBRANCH   7  13
ENDBRANCH   1   9
BRANCH   2  23
ATOM     23  C   LIG    1        2.349  -0.518   0.448  0.00  0.00    +0.113 C 
ATOM     24  C   LIG    1        2.041  -1.115  -0.930  0.00  0.00    +0.046 C 
ATOM     25  C   LIG    1        2.465  -0.169  -2.045  0.00  0.00    +0.110 C 
ATOM     26  N   LIG    1        3.905   0.121  -1.986  0.00  0.00    -0.304 N 
ATOM     27  C   LIG    1        4.563  -0.069  -0.689  0.00  0.00    +0.110 C 
ATOM     28  C   LIG    1        3.626   0.341   0.441  0.00  0.00    +0.046 C 
BRANCH  26  29
ATOM     29  C   LIG    1        4.626   0.353  -3.122  0.00  0.00    +0.173 C 
ATOM     30  N   LIG    1        5.882   0.146  -3.303  0.00  0.00    -0.273 NA
ATOM     31  H   LIG    1        6.277  -0.287  -2.468  0.00  0.00    +0.189 HD
BRANCH  29  32
ATOM     32  N   LIG    1        3.938   0.885  -4.153  0.00  0.00    -0.331 N 
ATOM     33  H   LIG    1        4.597   1.141  -4.881  0.00  0.00    +0.145 HD
ATOM     34  H   LIG    1        3.391   1.688  -3.874  0.00  0.00    +0.145 HD
ENDBRANCH  29  32
ENDBRANCH  26  29
ENDBRANCH   2  23
TORSDOF 6