REMARK  Name = BDB008472
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.193   0.075   0.769  0.00  0.00    +0.233 C 
ATOM      2  N   LIG    1        0.458   0.569  -0.305  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -0.142  -0.274  -1.348  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1       -1.592  -0.353  -1.027  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1       -2.313   0.582  -0.312  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1       -1.683   1.759   0.211  0.00  0.00    +0.088 A 
ATOM      7  N   LIG    1       -2.280   2.699   0.871  0.00  0.00    -0.174 NA
ATOM      8  N   LIG    1       -3.593   2.758   1.232  0.00  0.00    -0.242 N 
ATOM      9  H   LIG    1       -3.806   3.599   1.763  0.00  0.00    +0.192 HD
ATOM     10  C   LIG    1       -4.721   1.974   1.086  0.00  0.00    +0.272 A 
ATOM     11  C   LIG    1       -4.767   0.684   0.378  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1       -5.972  -0.038   0.287  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1       -6.032  -1.264  -0.381  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1       -4.896  -1.814  -0.981  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -3.705  -1.087  -0.885  0.00  0.00    +0.048 A 
ATOM     16  O   LIG    1       -5.772   2.391   1.586  0.00  0.00    -0.266 OA
ATOM     17  C   LIG    1       -3.633   0.142  -0.221  0.00  0.00    +0.021 A 
ATOM     18  N   LIG    1       -2.441  -1.371  -1.362  0.00  0.00    -0.356 N 
ATOM     19  H   LIG    1       -2.190  -2.213  -1.865  0.00  0.00    +0.166 HD
ATOM     20  C   LIG    1       -0.183   1.893  -0.127  0.00  0.00    +0.166 C 
ATOM     21  O   LIG    1        1.316   0.732   1.810  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  22
ATOM     22  C   LIG    1        1.883  -1.310   0.688  0.00  0.00    +0.142 C 
BRANCH  22  23
ATOM     23  N   LIG    1        0.864  -2.390   0.636  0.00  0.00    -0.320 NA
ATOM     24  H   LIG    1        1.332  -3.280   0.815  0.00  0.00    +0.119 HD
ATOM     25  H   LIG    1        0.233  -2.255   1.431  0.00  0.00    +0.119 HD
ENDBRANCH  22  23
BRANCH  22  26
ATOM     26  C   LIG    1        2.909  -1.418  -0.453  0.00  0.00    +0.063 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.121  -0.540  -0.241  0.00  0.00    -0.045 A 
ATOM     28  C   LIG    1        5.194  -0.988   0.543  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        6.306  -0.172   0.752  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.357   1.099   0.183  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.295   1.555  -0.595  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        4.181   0.741  -0.806  0.00  0.00    +0.004 A 
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 4