REMARK  Name = BDB059689
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.894   0.441   0.102  0.00  0.00    +0.063 C 
ATOM      2  C   LIG    1        1.511  -0.133  -0.034  0.00  0.00    +0.020 A 
ATOM      3  N   LIG    1        0.443   0.729   0.174  0.00  0.00    -0.342 N 
ATOM      4  H   LIG    1        0.680   1.695   0.406  0.00  0.00    +0.167 HD
ATOM      5  C   LIG    1       -0.840   0.301   0.073  0.00  0.00    +0.155 A 
ATOM      6  N   LIG    1       -1.069  -1.028  -0.246  0.00  0.00    -0.179 N 
ATOM      7  N   LIG    1       -2.400  -1.316  -0.313  0.00  0.00    -0.169 NA
ATOM      8  C   LIG    1       -2.993  -0.152  -0.033  0.00  0.00    +0.156 A 
ATOM      9  C   LIG    1       -0.057  -1.976  -0.474  0.00  0.00    +0.275 A 
ATOM     10  O   LIG    1       -0.300  -3.143  -0.754  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1       -2.075   0.884   0.215  0.00  0.00    +0.114 A 
ATOM     12  C   LIG    1        1.322  -1.431  -0.345  0.00  0.00    +0.093 A 
ENDROOT
BRANCH  11  13
ATOM     13  C   LIG    1       -2.354   2.239   0.540  0.00  0.00    +0.104 C 
ATOM     14  N   LIG    1       -2.568   3.348   0.806  0.00  0.00    -0.191 NA
ENDBRANCH  11  13
TORSDOF 1