REMARK  Name = BDB016140
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.945   2.087   0.938  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.479   1.662  -0.453  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.445   0.647  -0.403  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.547   1.030  -0.110  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.637  -0.660   0.062  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -2.883  -1.327   0.138  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.940  -2.646   0.637  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.797  -3.341   1.011  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.563  -2.726   0.888  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -4.148  -0.819  -0.219  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.949  -1.397   0.007  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.548   0.307  -0.855  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.761   0.488  -1.008  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.459  -1.405   0.412  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -3.565   1.273  -1.425  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.899  -0.831   0.309  0.00  0.00    -0.015 A 
ATOM     17  C   LIG    1        1.506  -0.660  -0.948  0.00  0.00    +0.018 A 
ATOM     18  C   LIG    1        2.798  -0.106  -1.044  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        3.661   0.194  -2.133  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1        4.817   0.732  -1.617  0.00  0.00    +0.086 A 
ATOM     21  N   LIG    1        4.690   0.771  -0.254  0.00  0.00    -0.350 N 
ATOM     22  C   LIG    1        5.699   1.270   0.654  0.00  0.00    +0.149 C 
ATOM     23  C   LIG    1        3.463   0.266   0.127  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        2.884   0.104   1.394  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1        1.599  -0.448   1.461  0.00  0.00    +0.010 A 
ENDBRANCH  14  16
TORSDOF 1