REMARK  Name = BDB028271
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.427   0.385   0.046  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -4.157  -0.207  -0.444  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -4.123  -1.590  -0.608  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -2.966  -2.224  -1.076  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -1.833  -1.466  -1.375  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -1.848  -0.078  -1.196  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1       -5.317  -2.383  -0.273  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -5.336  -3.600  -0.412  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -6.397  -1.679   0.202  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -7.228  -2.210   0.441  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -3.014   0.550  -0.734  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -6.470  -0.330   0.356  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -0.677   0.718  -1.499  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        0.573   0.560  -0.928  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1        1.110  -0.376   0.098  0.00  0.00    +0.163 C 
ATOM     16  N   LIG    1        2.556  -0.210   0.295  0.00  0.00    -0.294 N 
ATOM     17  C   LIG    1        3.064   1.161   0.182  0.00  0.00    +0.131 C 
ATOM     18  C   LIG    1        2.741   1.763  -1.176  0.00  0.00    +0.163 C 
ATOM     19  C   LIG    1        3.192  -1.256   0.986  0.00  0.00    +0.219 C 
ATOM     20  O   LIG    1        2.518  -2.241   1.337  0.00  0.00    -0.275 OA
ATOM     21  N   LIG    1        1.344   1.545  -1.479  0.00  0.00    -0.265 N 
ATOM     22  N   LIG    1        0.698   2.337  -2.349  0.00  0.00    -0.179 NA
ATOM     23  C   LIG    1       -0.539   1.834  -2.358  0.00  0.00    +0.143 A 
BRANCH  19  24
ATOM     24  C   LIG    1        4.699  -1.249   1.286  0.00  0.00    +0.075 C 
ATOM     25  C   LIG    1        5.751  -0.865   0.224  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1        6.595  -0.243   1.353  0.00  0.00    +0.001 C 
ATOM     27  C   LIG    1        5.333  -0.211   2.236  0.00  0.00    +0.013 C 
ENDBRANCH  19  24
ENDBRANCH   6  13
BRANCH   1  28
ATOM     28  C   LIG    1       -5.547   1.898   0.212  0.00  0.00    +0.136 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -4.873   2.301   1.448  0.00  0.00    -0.325 NA
ATOM     30  H   LIG    1       -5.055   3.291   1.613  0.00  0.00    +0.119 HD
ATOM     31  H   LIG    1       -5.317   1.811   2.228  0.00  0.00    +0.119 HD
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 4