REMARK  Name = BDB027998
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.196  -1.487   0.245  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1        2.281  -0.794   0.638  0.00  0.00    -0.200 NA
ATOM      3  C   LIG    1        3.401  -1.467   0.933  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1        3.476  -2.836   0.870  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        2.336  -3.471   0.457  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1        1.201  -2.825   0.141  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -3.738   1.163   0.119  0.00  0.00    +0.403 C 
ATOM      8  N   LIG    1       -2.525   0.501   0.034  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -2.397  -0.820  -0.586  0.00  0.00    +0.130 C 
ATOM     10  C   LIG    1       -1.183  -1.607  -0.065  0.00  0.00    +0.127 C 
ATOM     11  N   LIG    1        0.037  -0.784  -0.101  0.00  0.00    -0.297 N 
ATOM     12  C   LIG    1       -0.087   0.515   0.583  0.00  0.00    +0.127 C 
ATOM     13  C   LIG    1       -1.300   1.298   0.057  0.00  0.00    +0.130 C 
ATOM     14  O   LIG    1       -3.842   2.347   0.410  0.00  0.00    -0.226 OA
BRANCH   7  15
ATOM     15  O   LIG    1       -4.787   0.344  -0.151  0.00  0.00    -0.445 OA
BRANCH  15  17
ATOM     16  C   LIG    1       -6.538   1.308   1.290  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1       -6.151   0.836  -0.116  0.00  0.00    +0.107 C 
ATOM     18  C   LIG    1       -6.380   1.923  -1.171  0.00  0.00    +0.055 C 
ATOM     19  C   LIG    1       -7.012  -0.385  -0.476  0.00  0.00    +0.055 C 
ENDBRANCH  15  17
ENDBRANCH   7  15
ENDBRANCH   1  11
BRANCH   3  20
ATOM     20  N   LIG    1        4.471  -0.665   1.340  0.00  0.00    -0.318 N 
ATOM     21  H   LIG    1        4.091   0.278   1.253  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        5.730  -0.851   0.599  0.00  0.00    +0.159 C 
ATOM     23  C   LIG    1        5.571  -0.551  -0.897  0.00  0.00    +0.239 C 
ATOM     24  O   LIG    1        5.442  -1.433  -1.743  0.00  0.00    -0.273 OA
ATOM     25  N   LIG    1        5.588   0.775  -1.256  0.00  0.00    -0.255 N 
ATOM     26  H   LIG    1        5.489   0.943  -2.249  0.00  0.00    +0.158 HD
ATOM     27  C   LIG    1        6.233   1.774  -0.575  0.00  0.00    +0.219 C 
ATOM     28  O   LIG    1        6.554   2.817  -1.138  0.00  0.00    -0.275 OA
ATOM     29  C   LIG    1        6.504   1.535   0.890  0.00  0.00    +0.098 C 
ATOM     30  C   LIG    1        6.807   0.070   1.173  0.00  0.00    +0.041 C 
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 5