REMARK  Name = BDB044029
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.013  -1.997  -0.510  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        1.818  -1.168  -0.139  0.00  0.00    -0.049 A 
ATOM      3  C   LIG    1        1.951   0.226   0.037  0.00  0.00    +0.020 A 
ATOM      4  C   LIG    1        0.841   1.022   0.367  0.00  0.00    +0.079 A 
ATOM      5  C   LIG    1       -0.390   0.402   0.503  0.00  0.00    +0.136 A 
ATOM      6  O   LIG    1       -1.576   1.025   0.796  0.00  0.00    -0.488 OA
ATOM      7  C   LIG    1       -2.597   0.015   0.608  0.00  0.00    +0.175 C 
ATOM      8  C   LIG    1       -1.932  -1.367   0.571  0.00  0.00    +0.083 C 
ATOM      9  C   LIG    1       -3.362   0.336  -0.674  0.00  0.00    +0.052 C 
ATOM     10  C   LIG    1       -0.529  -0.967   0.318  0.00  0.00    -0.001 A 
ATOM     11  C   LIG    1        0.557  -1.766  -0.003  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1        0.996   2.480   0.574  0.00  0.00    +0.245 C 
ATOM     13  O   LIG    1        0.417   3.096   1.457  0.00  0.00    -0.270 OA
ATOM     14  N   LIG    1        1.839   3.125  -0.294  0.00  0.00    -0.325 N 
ATOM     15  H   LIG    1        2.105   2.707  -1.174  0.00  0.00    +0.145 HD
ATOM     16  H   LIG    1        1.831   4.135  -0.237  0.00  0.00    +0.145 HD
ENDBRANCH   4  12
TORSDOF 1