REMARK  Name = BDB029359
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.313   0.822   0.256  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.166   0.411   0.209  0.00  0.00    +0.222 C 
ATOM      3  N   LIG    1       -3.028   1.194   0.053  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1       -3.065   2.198  -0.037  0.00  0.00    +0.155 HD
ATOM      5  C   LIG    1       -1.881   0.417   0.041  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -2.222  -0.924   0.191  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1       -1.246  -1.898   0.213  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        0.088  -1.490   0.079  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        0.445  -0.125  -0.076  0.00  0.00    -0.015 A 
ATOM     10  C   LIG    1       -0.576   0.843  -0.094  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1       -3.711  -1.050   0.311  0.00  0.00    +0.133 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        1.855   0.268  -0.213  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        2.300   1.064  -1.271  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1        3.582   1.466  -1.453  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        4.480   1.054  -0.535  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        4.156   0.261   0.552  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        2.828  -0.134   0.710  0.00  0.00    +0.011 A 
ENDBRANCH   9  12
TORSDOF 1