REMARK  Name = BDB047641
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.971  -1.149  -0.166  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1        1.710  -0.281  -0.222  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1        0.587  -1.086   0.240  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1        0.662  -2.061  -0.044  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -0.720  -0.612   0.049  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -1.118   0.732  -0.106  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1       -2.486   1.026  -0.293  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -3.461   0.031  -0.268  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -3.086  -1.282  -0.045  0.00  0.00    +0.002 A 
ATOM     10  N   LIG    1       -0.287   1.869  -0.105  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -0.727   2.755  -0.326  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1        1.022   2.049   0.203  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1        1.492   3.188   0.119  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -1.736  -1.592   0.121  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1        1.864   0.915   0.692  0.00  0.00    +0.118 C 
ENDROOT
TORSDOF 0