REMARK  Name = BDB016336
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.542  -0.834   0.980  0.00  0.00    +0.008 A 
ATOM      2  C   LIG    1       -0.786  -0.724   0.450  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1       -1.173   0.537  -0.056  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.346   1.053  -0.359  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.248   0.608  -1.033  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -3.564   0.438  -0.309  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -3.911  -1.011  -0.206  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -3.002  -1.931   0.198  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -3.437  -2.841   0.281  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -5.061  -1.396  -0.443  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -2.193   1.986  -1.702  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -1.641  -1.849   0.562  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -1.132  -3.057   1.084  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        0.174  -3.165   1.547  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        1.001  -2.055   1.507  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1        2.496   0.465   0.025  0.00  0.00    +0.128 A 
ATOM     17  C   LIG    1        1.483   0.311   0.998  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1        1.364   1.276   2.016  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        2.227   2.369   2.073  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        3.223   2.512   1.112  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        3.357   1.567   0.092  0.00  0.00    +0.046 A 
BRANCH  16  23
ATOM     22  C   LIG    1        3.581  -0.402  -1.920  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1        2.549  -0.501  -0.949  0.00  0.00    -0.495 OA
ENDBRANCH  16  23
ENDBRANCH   1  17
TORSDOF 2