REMARK  Name = BDB051728
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.877   0.114   0.114  0.00  0.00    +0.151 A 
ATOM      2  C   LIG    1       -3.683  -0.537  -0.281  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -3.378  -1.502  -1.375  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -2.104  -2.328  -1.056  0.00  0.00    +0.043 C 
ATOM      5  C   LIG    1       -1.024  -1.561  -0.332  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1       -1.317  -0.491   0.500  0.00  0.00    +0.097 A 
ATOM      7  N   LIG    1       -0.412   0.194   1.215  0.00  0.00    -0.213 NA
ATOM      8  C   LIG    1        0.855  -0.222   1.110  0.00  0.00    +0.216 A 
ATOM      9  N   LIG    1        1.247  -1.250   0.343  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1        0.301  -1.908  -0.356  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1       -2.702  -0.067   0.569  0.00  0.00    +0.091 A 
ATOM     12  N   LIG    1       -3.322   0.800   1.418  0.00  0.00    -0.264 N 
ATOM     13  C   LIG    1       -2.736   1.536   2.513  0.00  0.00    +0.173 C 
ATOM     14  N   LIG    1       -4.647   0.935   1.164  0.00  0.00    -0.166 NA
ENDROOT
BRANCH   1  18
ATOM     15  C   LIG    1       -8.512   0.881  -0.326  0.00  0.00    +0.128 C 
ATOM     16  N   LIG    1       -7.173   0.732   0.169  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1       -6.813   1.339   0.901  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -6.217  -0.014  -0.486  0.00  0.00    +0.264 C 
ATOM     19  O   LIG    1       -6.448  -0.704  -1.474  0.00  0.00    -0.268 OA
ENDBRANCH   1  18
BRANCH   8  20
ATOM     20  N   LIG    1        1.770   0.494   1.855  0.00  0.00    -0.311 N 
ATOM     21  H   LIG    1        1.315   1.360   2.121  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.159   0.622   1.419  0.00  0.00    +0.076 C 
ATOM     23  C   LIG    1        3.288   1.281   0.043  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1        4.744   1.279  -0.409  0.00  0.00    +0.109 C 
ATOM     25  N   LIG    1        5.351  -0.050  -0.377  0.00  0.00    -0.302 N 
ATOM     26  C   LIG    1        6.564  -0.352  -0.986  0.00  0.00    +0.212 C 
ATOM     27  O   LIG    1        7.024  -1.492  -1.037  0.00  0.00    -0.276 OA
ATOM     28  C   LIG    1        7.320   0.799  -1.603  0.00  0.00    +0.109 C 
ATOM     29  C   LIG    1        4.582  -1.129   0.243  0.00  0.00    +0.109 C 
ATOM     30  C   LIG    1        3.956  -0.684   1.561  0.00  0.00    +0.041 C 
ENDBRANCH  20  22
ENDBRANCH   8  20
TORSDOF 3