REMARK  Name = BDB047636
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.440  -0.258   1.205  0.00  0.00    +0.079 C 
ATOM      2  N   LIG    1        0.338   0.681   1.306  0.00  0.00    -0.339 N 
ATOM      3  H   LIG    1        0.638   1.609   1.592  0.00  0.00    +0.146 HD
ATOM      4  C   LIG    1       -0.807   0.698   0.521  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -1.263  -0.300  -0.359  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1       -2.455  -0.092  -1.087  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1       -3.231   1.053  -0.917  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -2.826   2.014  -0.009  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1       -0.633  -1.523  -0.650  0.00  0.00    -0.284 N 
ATOM     10  H   LIG    1       -1.001  -2.053  -1.430  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1        0.396  -2.179  -0.065  0.00  0.00    +0.219 C 
ATOM     12  O   LIG    1        0.786  -3.233  -0.576  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -1.638   1.830   0.699  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        0.986  -1.696   1.215  0.00  0.00    +0.118 C 
ENDROOT
BRANCH   1  16
ATOM     15  C   LIG    1        2.107   0.270  -1.280  0.00  0.00    +0.006 C 
ATOM     16  C   LIG    1        2.510   0.161   0.182  0.00  0.00    +0.019 C 
ENDBRANCH   1  16
TORSDOF 1