REMARK  Name = BDB027816
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.549  -1.076   0.568  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -2.172  -2.127   1.301  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1       -3.577  -2.139   1.380  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -4.153  -3.186   2.085  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -3.490  -4.190   2.714  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -2.150  -4.142   2.646  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -4.354  -1.197   0.818  0.00  0.00    -0.245 NA
ATOM      8  C   LIG    1       -3.763  -0.171   0.168  0.00  0.00    +0.074 A 
ATOM      9  C   LIG    1       -1.460  -3.152   1.967  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1       -2.378  -0.092   0.030  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -4.684   0.837  -0.394  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -4.347   2.195  -0.481  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -5.259   3.090  -1.022  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1       -6.475   2.737  -1.482  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1       -6.800   1.432  -1.382  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1       -5.956   0.467  -0.856  0.00  0.00    +0.030 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -0.156  -1.055   0.468  0.00  0.00    -0.336 N 
ATOM     18  H   LIG    1        0.178  -1.988   0.230  0.00  0.00    +0.147 HD
BRANCH  17  19
ATOM     19  C   LIG    1        0.746  -0.011  -0.073  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1        0.613   0.094  -1.600  0.00  0.00    +0.033 C 
ATOM     21  C   LIG    1        0.527   1.348   0.612  0.00  0.00    +0.033 C 
BRANCH  19  22
ATOM     22  C   LIG    1        2.207  -0.471   0.261  0.00  0.00    +0.185 C 
BRANCH  22  23
ATOM     23  O   LIG    1        3.180   0.441  -0.257  0.00  0.00    -0.375 OA
BRANCH  23  24
ATOM     24  C   LIG    1        4.517   0.030   0.065  0.00  0.00    +0.194 C 
BRANCH  24  26
ATOM     25  C   LIG    1        6.939   0.708  -0.123  0.00  0.00    +0.043 C 
ATOM     26  C   LIG    1        5.507   1.053  -0.525  0.00  0.00    +0.084 C 
ATOM     27  C   LIG    1        5.384   1.144  -2.048  0.00  0.00    +0.043 C 
BRANCH  26  28
ATOM     28  O   LIG    1        5.199   2.345   0.014  0.00  0.00    -0.387 OA
ATOM     29  H   LIG    1        4.232   2.443  -0.079  0.00  0.00    +0.210 HD
ENDBRANCH  26  28
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 8