REMARK  Name = BDB016311
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.159   2.160   0.399  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1        2.307   1.226   1.258  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1        1.219   0.663   0.485  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1        0.310   0.739   0.948  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1        1.272  -0.444  -0.361  0.00  0.00    +0.056 A 
ATOM      6  C   LIG    1        2.438  -1.190  -0.660  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        2.412  -2.147  -1.691  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1        1.256  -2.404  -2.414  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        0.096  -1.706  -2.118  0.00  0.00    +0.009 A 
ATOM     10  N   LIG    1        3.686  -1.108  -0.010  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1        4.453  -1.626  -0.420  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1        4.061  -0.536   1.160  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1        5.235  -0.653   1.525  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        0.073  -0.736  -1.095  0.00  0.00    +0.016 A 
ATOM     15  C   LIG    1        3.063   0.166   2.020  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1       -1.209   0.067  -0.851  0.00  0.00    +0.210 C 
ATOM     17  O   LIG    1       -1.454   0.240   0.583  0.00  0.00    -0.484 OA
ATOM     18  C   LIG    1       -2.805   0.451   0.662  0.00  0.00    +0.125 A 
ATOM     19  C   LIG    1       -3.486   0.094  -0.490  0.00  0.00    -0.002 A 
ATOM     20  C   LIG    1       -4.860   0.225  -0.576  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -5.540   0.740   0.531  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.843   1.097   1.699  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -3.457   0.946   1.772  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -2.521  -0.483  -1.455  0.00  0.00    +0.088 C 
ENDBRANCH  14  16
TORSDOF 1