REMARK  Name = BDB016165
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.531   1.083  -2.310  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.545   0.545  -0.875  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -2.192   0.123  -0.542  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.810  -0.438  -1.321  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.955  -0.624   0.635  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -2.824  -0.695   1.751  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.498  -1.542   2.832  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.311  -2.263   2.868  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.405  -2.128   1.829  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -4.037   0.000   1.941  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.575  -0.237   2.766  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.622   1.026   1.273  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.689   1.473   1.705  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.695  -1.301   0.728  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1       -3.967   1.639   0.081  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.377  -1.162  -0.297  0.00  0.00    +0.015 C 
ATOM     17  C   LIG    1        1.550  -0.598   0.054  0.00  0.00    +0.078 C 
BRANCH  16  18
ATOM     18  C   LIG    1        0.197  -1.651  -1.688  0.00  0.00    +0.111 C 
ATOM     19  N   LIG    1       -0.952  -1.864  -2.244  0.00  0.00    -0.307 NA
ATOM     20  H   LIG    1       -0.807  -2.209  -3.202  0.00  0.00    +0.186 HD
ENDBRANCH  16  18
BRANCH  17  21
ATOM     21  N   LIG    1        2.680  -0.325  -0.696  0.00  0.00    -0.342 N 
ATOM     22  H   LIG    1        2.507  -0.294  -1.698  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.831   0.501  -0.269  0.00  0.00    +0.049 C 
ATOM     24  C   LIG    1        4.455  -0.069   1.016  0.00  0.00    +0.033 C 
ATOM     25  C   LIG    1        3.365   1.946  -0.030  0.00  0.00    +0.033 C 
BRANCH  23  26
ATOM     26  C   LIG    1        4.896   0.469  -1.405  0.00  0.00    +0.180 C 
BRANCH  26  27
ATOM     27  O   LIG    1        6.056   1.246  -1.120  0.00  0.00    -0.393 OA
ATOM     28  H   LIG    1        5.821   2.183  -1.228  0.00  0.00    +0.209 HD
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  21  23
ENDBRANCH  17  21
ENDBRANCH  14  16
TORSDOF 6