REMARK  Name = BDB016416
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.278   2.457  -1.198  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -4.191   1.201  -0.326  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -2.793   0.864  -0.155  0.00  0.00    -0.338 N 
ATOM      4  H   LIG    1       -2.166   1.150  -0.909  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.463  -0.449   0.238  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1       -3.211  -1.240   1.132  0.00  0.00    +0.056 A 
ATOM      7  C   LIG    1       -2.721  -2.511   1.494  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.506  -2.994   1.014  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -0.755  -2.218   0.143  0.00  0.00    +0.025 A 
ATOM     10  N   LIG    1       -4.445  -0.908   1.728  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.877  -1.624   2.300  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -5.214   0.209   1.715  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -6.285   0.176   2.332  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -1.217  -0.956  -0.256  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1       -4.779   1.473   1.042  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  N   LIG    1       -0.488  -0.177  -1.203  0.00  0.00    -0.298 N 
ATOM     17  C   LIG    1        0.929  -0.018  -1.225  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1        1.438   0.106  -2.519  0.00  0.00    -0.025 A 
ATOM     19  C   LIG    1        2.786   0.304  -2.751  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        3.642   0.368  -1.646  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1        3.148   0.249  -0.329  0.00  0.00    -0.013 A 
ATOM     22  C   LIG    1        0.318   0.039  -3.497  0.00  0.00    +0.056 C 
ATOM     23  C   LIG    1        1.771   0.065  -0.126  0.00  0.00    +0.032 A 
ATOM     24  C   LIG    1       -0.790  -0.558  -2.609  0.00  0.00    +0.116 C 
BRANCH  21  25
ATOM     25  C   LIG    1        4.043   0.332   0.816  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        5.379  -0.014   0.815  0.00  0.00    +0.116 A 
ATOM     27  N   LIG    1        5.833   0.198   2.084  0.00  0.00    -0.274 N 
ATOM     28  C   LIG    1        7.171  -0.022   2.576  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1        4.888   0.655   2.923  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        3.800   0.734   2.151  0.00  0.00    +0.142 A 
ENDBRANCH  21  25
ENDBRANCH  14  16
TORSDOF 2