REMARK  Name = BDB064462
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.580  -1.105   0.311  0.00  0.00    +0.279 C 
ATOM      2  C   LIG    1        0.281  -1.017   1.834  0.00  0.00    +0.260 C 
ATOM      3  O   LIG    1       -0.847  -0.903   2.322  0.00  0.00    -0.271 OA
ATOM      4  N   LIG    1        1.355  -1.127   2.688  0.00  0.00    -0.282 N 
ATOM      5  H   LIG    1        1.078  -1.315   3.644  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1        2.708  -1.212   2.329  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1        3.256  -0.644   1.167  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1        4.608  -0.870   0.856  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        5.421  -1.600   1.723  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        4.895  -2.100   2.909  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        2.480   0.297   0.300  0.00  0.00    +0.077 C 
ATOM     12  C   LIG    1        3.547  -1.902   3.214  0.00  0.00    +0.024 A 
ATOM     13  N   LIG    1        1.265   0.112  -0.097  0.00  0.00    -0.251 NA
ENDROOT
BRANCH  11  14
ATOM     14  C   LIG    1        3.139   1.568  -0.140  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        3.954   2.302   0.731  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        4.549   3.487   0.294  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        4.324   3.946  -1.005  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        3.498   3.226  -1.868  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        2.901   2.041  -1.436  0.00  0.00    +0.010 A 
ENDBRANCH  11  14
BRANCH   1  22
ATOM     20  O   LIG    1       -0.878  -3.409  -0.326  0.00  0.00    -0.270 OA
ATOM     21  C   LIG    1       -1.349  -2.307  -0.597  0.00  0.00    +0.248 C 
ATOM     22  N   LIG    1       -0.638  -1.146  -0.443  0.00  0.00    -0.282 N 
ATOM     23  H   LIG    1       -1.175  -0.286  -0.484  0.00  0.00    +0.151 HD
BRANCH  21  24
ATOM     24  C   LIG    1       -2.748  -2.176  -1.127  0.00  0.00    +0.058 A 
ATOM     25  C   LIG    1       -3.461  -0.953  -1.218  0.00  0.00    +0.042 A 
ATOM     26  C   LIG    1       -4.773  -0.992  -1.734  0.00  0.00    +0.024 A 
ATOM     27  C   LIG    1       -5.359  -2.188  -2.158  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -4.651  -3.379  -2.068  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -3.356  -3.373  -1.552  0.00  0.00    +0.015 A 
BRANCH  25  30
ATOM     30  N   LIG    1       -2.910   0.263  -0.757  0.00  0.00    -0.325 N 
ATOM     31  C   LIG    1       -2.896   1.379  -1.732  0.00  0.00    +0.133 C 
ATOM     32  C   LIG    1       -2.588   2.693  -0.999  0.00  0.00    +0.178 C 
ATOM     33  O   LIG    1       -3.606   3.051  -0.048  0.00  0.00    -0.377 OA
ATOM     34  C   LIG    1       -4.261   1.914   0.541  0.00  0.00    +0.178 C 
ATOM     35  C   LIG    1       -3.389   0.651   0.599  0.00  0.00    +0.133 C 
ENDBRANCH  25  30
ENDBRANCH  21  24
ENDBRANCH   1  22
TORSDOF 4