REMARK  Name = BDB045986
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.495  -0.943  -2.314  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1       -3.412  -0.103  -2.080  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -2.095  -0.327  -1.449  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1       -1.407   0.873  -1.484  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1       -2.171   1.942  -2.085  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1       -1.700  -1.378  -0.982  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -3.445   1.255  -2.450  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -4.554   1.816  -3.062  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -5.652   0.996  -3.303  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -5.622  -0.360  -2.933  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -3.512  -3.096  -1.602  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -3.653  -4.051  -1.302  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -2.629  -2.660  -1.340  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -4.610  -2.392  -1.985  0.00  0.00    +0.242 C 
ATOM     15  O   LIG    1       -5.691  -2.968  -2.072  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  C   LIG    1       -0.068   1.079  -0.952  0.00  0.00    +0.112 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -0.067   1.808   0.409  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1       -0.679   0.960   1.531  0.00  0.00    +0.020 C 
ATOM     19  C   LIG    1        0.178  -0.266   1.876  0.00  0.00    +0.085 C 
ATOM     20  N   LIG    1        1.616  -0.061   1.635  0.00  0.00    -0.298 NA
ATOM     21  C   LIG    1        2.006   1.327   1.868  0.00  0.00    +0.085 C 
ATOM     22  C   LIG    1        1.364   2.231   0.806  0.00  0.00    +0.020 C 
BRANCH  20  23
ATOM     23  C   LIG    1        2.412  -1.022   2.414  0.00  0.00    +0.119 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.847  -1.129   1.944  0.00  0.00    -0.033 A 
ATOM     25  C   LIG    1        4.136  -1.469   0.613  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        5.458  -1.583   0.180  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.505  -1.363   1.072  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.232  -1.028   2.398  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.910  -0.913   2.833  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 5