REMARK  Name = BDB002805
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.986  -0.237  -1.047  0.00  0.00    -0.160 N 
ATOM      2  C   LIG    1        2.288  -0.690  -2.347  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        3.373  -1.090  -2.764  0.00  0.00    -0.273 OA
ATOM      4  C   LIG    1        1.098  -0.733  -3.279  0.00  0.00    +0.104 C 
ATOM      5  C   LIG    1        0.257   0.505  -3.123  0.00  0.00    +0.072 C 
ATOM      6  C   LIG    1       -0.065   0.635  -1.674  0.00  0.00    +0.122 C 
ATOM      7  N   LIG    1        0.749   0.304  -0.720  0.00  0.00    -0.172 NA
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1       -1.398   1.264  -1.325  0.00  0.00    +0.267 C 
ATOM      9  N   LIG    1       -2.282   0.506  -0.545  0.00  0.00    -0.256 N 
ATOM     10  C   LIG    1       -3.511   1.034  -0.018  0.00  0.00    +0.058 A 
ATOM     11  C   LIG    1       -4.451   0.169   0.576  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -5.667   0.647   1.081  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1       -5.964   2.004   1.017  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -5.046   2.878   0.448  0.00  0.00    +0.002 A 
ATOM     15  N   LIG    1       -4.222  -1.206   0.659  0.00  0.00    -0.283 N 
ATOM     16  H   LIG    1       -4.933  -1.825   1.028  0.00  0.00    +0.155 HD
ATOM     17  C   LIG    1       -3.065  -1.798   0.261  0.00  0.00    +0.235 C 
ATOM     18  O   LIG    1       -2.920  -3.016   0.352  0.00  0.00    -0.274 OA
ATOM     19  C   LIG    1       -3.834   2.398  -0.063  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1       -1.945  -0.880  -0.193  0.00  0.00    +0.210 C 
ATOM     21  O   LIG    1       -1.577   2.376  -1.808  0.00  0.00    -0.268 OA
ENDBRANCH   6   8
BRANCH   1  25
ATOM     22  C   LIG    1        6.340  -1.687   0.993  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1        5.022  -0.977   1.105  0.00  0.00    -0.049 A 
ATOM     24  C   LIG    1        4.150  -0.931  -0.000  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        2.897  -0.303   0.070  0.00  0.00    +0.060 A 
ATOM     26  C   LIG    1        2.538   0.267   1.307  0.00  0.00    +0.025 A 
ATOM     27  C   LIG    1        3.388   0.215   2.416  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        4.625  -0.410   2.316  0.00  0.00    +0.003 A 
ENDBRANCH   1  25
TORSDOF 2