REMARK  Name = BDB044036
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.038   0.168   0.352  0.00  0.00    +0.078 A 
ATOM      2  C   LIG    1       -0.215  -0.403   0.194  0.00  0.00    +0.136 A 
ATOM      3  O   LIG    1       -0.581  -1.671   0.573  0.00  0.00    -0.491 OA
ATOM      4  C   LIG    1       -2.021  -1.664   0.470  0.00  0.00    +0.234 C 
ATOM      5  C   LIG    1       -2.434  -0.595  -0.539  0.00  0.00    +0.080 C 
ATOM      6  C   LIG    1       -1.243   0.281  -0.447  0.00  0.00    -0.002 A 
ATOM      7  C   LIG    1       -1.056   1.558  -0.949  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1        0.195   2.156  -0.786  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        1.237   1.469  -0.140  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   1  13
ATOM     10  N   LIG    1        3.382  -0.408   0.509  0.00  0.00    -0.325 N 
ATOM     11  H   LIG    1        4.094  -1.010   0.901  0.00  0.00    +0.145 HD
ATOM     12  H   LIG    1        3.510  -0.087  -0.440  0.00  0.00    +0.145 HD
ATOM     13  C   LIG    1        2.130  -0.550   1.047  0.00  0.00    +0.245 C 
ATOM     14  O   LIG    1        1.949  -1.234   2.044  0.00  0.00    -0.270 OA
ENDBRANCH   1  13
TORSDOF 1