REMARK  Name = BDB016360
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.755   2.564   0.817  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.282   1.202   0.353  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -2.165   0.271   0.321  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.286   0.728   0.077  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.295  -0.953  -0.368  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -3.519  -1.632  -0.585  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -3.521  -2.848  -1.302  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -2.345  -3.433  -1.756  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -1.134  -2.815  -1.493  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -4.806  -1.235  -0.164  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -5.581  -1.810  -0.474  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -5.253  -0.245   0.646  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -6.470  -0.159   0.842  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -1.084  -1.593  -0.797  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -4.310   0.685   1.334  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.250  -1.010  -0.547  0.00  0.00    -0.016 A 
ATOM     17  C   LIG    1        0.997  -0.449  -1.592  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1        2.259   0.107  -1.352  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        2.813   0.119  -0.063  0.00  0.00    -0.018 A 
ATOM     20  C   LIG    1        2.062  -0.446   0.979  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1        0.801  -1.003   0.741  0.00  0.00    +0.009 A 
BRANCH  19  22
ATOM     22  C   LIG    1        4.140   0.707   0.188  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1        5.262   0.307  -0.557  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        6.521   0.865  -0.319  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        6.680   1.833   0.669  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.581   2.244   1.419  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        4.323   1.685   1.181  0.00  0.00    +0.008 A 
ENDBRANCH  19  22
ENDBRANCH  14  16
TORSDOF 2