REMARK  Name = BDB062848
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.675  -0.213   0.001  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -0.388   0.280  -0.176  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1        0.944  -0.307  -0.099  0.00  0.00    -0.006 A 
ATOM      4  C   LIG    1        1.903   0.690  -0.361  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        1.187   1.954  -0.605  0.00  0.00    +0.194 C 
ATOM      6  O   LIG    1        1.679   3.034  -0.855  0.00  0.00    -0.287 OA
ATOM      7  C   LIG    1        3.269   0.470  -0.360  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        3.702  -0.823  -0.080  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        2.771  -1.841   0.190  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        1.390  -1.587   0.185  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -0.251   1.651  -0.472  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -1.309   2.537  -0.595  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -2.590   2.028  -0.413  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -2.774   0.666  -0.119  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  18
ATOM     15  N   LIG    1       -2.714  -1.882   1.390  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1       -2.953  -1.167   2.064  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1       -2.871  -2.850   1.639  0.00  0.00    +0.145 HD
ATOM     18  C   LIG    1       -1.956  -1.634   0.281  0.00  0.00    +0.242 C 
ATOM     19  O   LIG    1       -1.549  -2.532  -0.440  0.00  0.00    -0.270 OA
ENDBRANCH   1  18
TORSDOF 1