REMARK  Name = BDB027670
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.294  -0.891   0.255  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.225  -2.071   0.811  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.611  -2.202   0.737  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        2.142  -3.358   1.290  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        1.438  -4.359   1.882  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        0.104  -4.207   1.923  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.405  -1.281   0.169  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.810  -0.198  -0.356  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -0.543  -3.099   1.409  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.488   0.028  -0.332  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.667   0.817  -0.996  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        4.064   0.684  -1.035  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        4.827   1.666  -1.646  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        4.308   2.770  -2.220  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        2.967   2.893  -2.183  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        2.123   1.964  -1.594  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.698  -0.662   0.295  0.00  0.00    -0.323 N 
ATOM     18  H   LIG    1       -1.986  -0.756   1.274  0.00  0.00    +0.148 HD
BRANCH  17  20
ATOM     19  C   LIG    1       -2.277   0.484  -1.813  0.00  0.00    +0.031 C 
ATOM     20  C   LIG    1       -2.354   0.492  -0.297  0.00  0.00    +0.035 C 
ATOM     21  C   LIG    1       -2.046   1.817   0.460  0.00  0.00    +0.057 C 
ATOM     22  C   LIG    1       -3.246   1.508   1.385  0.00  0.00    +0.119 C 
ATOM     23  C   LIG    1       -3.807   0.616   0.254  0.00  0.00    +0.057 C 
BRANCH  22  24
ATOM     24  O   LIG    1       -2.923   0.812   2.610  0.00  0.00    -0.392 OA
ATOM     25  H   LIG    1       -2.525   1.493   3.181  0.00  0.00    +0.210 HD
ENDBRANCH  22  24
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 4