REMARK  Name = BDB016317
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.648  -0.741  -0.867  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1       -1.959  -0.353  -0.453  0.00  0.00    +0.061 A 
ATOM      3  N   LIG    1       -2.129   0.949   0.062  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.400   1.565  -0.330  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -3.443   1.570   0.005  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -4.296   0.982   1.107  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -4.971  -0.264   0.636  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -4.296  -1.230  -0.036  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -4.903  -2.025  -0.201  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -6.161  -0.468   0.898  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -3.270   3.076   0.224  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -2.963  -1.348  -0.482  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -2.664  -2.623  -1.011  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -1.392  -2.956  -1.467  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -0.378  -2.016  -1.389  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  18
ATOM     16  N   LIG    1        1.660  -0.274  -0.316  0.00  0.00    -0.279 N 
ATOM     17  H   LIG    1        1.652  -1.213   0.071  0.00  0.00    +0.155 HD
ATOM     18  C   LIG    1        0.482   0.237  -0.819  0.00  0.00    +0.250 C 
ATOM     19  O   LIG    1        0.276   1.386  -1.196  0.00  0.00    -0.270 OA
BRANCH  16  21
ATOM     20  C   LIG    1        3.942  -0.359   0.444  0.00  0.00    +0.141 A 
ATOM     21  C   LIG    1        2.905   0.377  -0.170  0.00  0.00    +0.076 A 
ATOM     22  C   LIG    1        3.150   1.681  -0.604  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        4.410   2.256  -0.428  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        5.431   1.531   0.180  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        5.201   0.225   0.615  0.00  0.00    +0.047 A 
BRANCH  20  27
ATOM     26  C   LIG    1        4.606  -2.386   1.514  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1        3.608  -1.639   0.830  0.00  0.00    -0.493 OA
ENDBRANCH  20  27
ENDBRANCH  16  21
ENDBRANCH   1  18
TORSDOF 3