REMARK  Name = BDB016397
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.350  -1.260  -0.734  0.00  0.00    +0.005 A 
ATOM      2  C   LIG    1       -1.558  -0.517  -0.504  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1       -1.615   0.270   0.664  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.681   0.521   0.983  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.551   1.380   0.749  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -3.941   0.823   0.963  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -4.582   0.537  -0.354  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -3.928  -0.147  -1.325  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -4.547  -0.318  -2.109  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -5.749   0.879  -0.569  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -2.148   2.253   1.941  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -2.631  -0.696  -1.412  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -2.446  -1.499  -2.557  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -1.255  -2.173  -2.796  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -0.220  -2.064  -1.882  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  18
ATOM     16  C   LIG    1        3.089  -0.531   0.696  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        1.997  -0.575  -0.182  0.00  0.00    +0.021 A 
ATOM     18  C   LIG    1        0.800  -1.211   0.193  0.00  0.00    -0.015 A 
ATOM     19  C   LIG    1        0.726  -1.811   1.460  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        1.816  -1.783   2.332  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        2.996  -1.149   1.949  0.00  0.00    +0.013 A 
BRANCH  16  25
ATOM     22  C   LIG    1        5.454   1.950  -0.906  0.00  0.00    +0.128 C 
ATOM     23  N   LIG    1        4.286   1.171  -0.579  0.00  0.00    -0.314 N 
ATOM     24  H   LIG    1        3.382   1.582  -0.765  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1        4.370   0.133   0.328  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1        5.421  -0.226   0.848  0.00  0.00    -0.270 OA
ENDBRANCH  16  25
ENDBRANCH   1  18
TORSDOF 2