REMARK  Name = BDB026755
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.401   0.551   0.417  0.00  0.00    -0.275 N 
ATOM      2  C   LIG    1        0.179   0.640   1.234  0.00  0.00    +0.157 C 
ATOM      3  C   LIG    1       -0.331   2.093   1.481  0.00  0.00    +0.175 C 
ATOM      4  O   LIG    1        0.737   2.844   2.082  0.00  0.00    -0.361 OA
ATOM      5  C   LIG    1        1.890   2.868   1.257  0.00  0.00    +0.256 C 
ATOM      6  C   LIG    1        2.320   1.603   0.479  0.00  0.00    +0.243 C 
ATOM      7  O   LIG    1        3.425   1.570  -0.061  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -0.912  -0.297   0.786  0.00  0.00    +0.041 A 
ATOM      9  N   LIG    1       -1.412  -1.260   1.639  0.00  0.00    -0.356 N 
ATOM     10  H   LIG    1       -1.121  -1.405   2.597  0.00  0.00    +0.166 HD
ATOM     11  C   LIG    1       -2.347  -2.039   0.998  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -2.492  -1.530  -0.289  0.00  0.00    -0.000 A 
ATOM     13  C   LIG    1       -3.405  -2.145  -1.165  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -4.139  -3.251  -0.721  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -3.974  -3.739   0.574  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -3.074  -3.141   1.461  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1       -1.604  -0.427  -0.405  0.00  0.00    +0.033 A 
ENDBRANCH   2   8
BRANCH   3  18
ATOM     18  C   LIG    1       -0.983   2.914   0.375  0.00  0.00    -0.017 A 
ATOM     19  C   LIG    1       -1.985   3.837   0.731  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -2.611   4.633  -0.231  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -2.235   4.527  -1.566  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1       -3.003   5.505  -2.753  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1       -1.234   3.638  -1.940  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -0.608   2.841  -0.974  0.00  0.00    +0.007 A 
ENDBRANCH   3  18
BRANCH   1  25
ATOM     25  C   LIG    1        1.760  -0.720  -0.270  0.00  0.00    +0.185 C 
BRANCH  25  26
ATOM     26  C   LIG    1        1.454  -0.596  -1.776  0.00  0.00    +0.325 C 
ATOM     27  O   LIG    1        1.679   0.390  -2.464  0.00  0.00    -0.249 OA
BRANCH  26  28
ATOM     28  O   LIG    1        0.869  -1.699  -2.307  0.00  0.00    -0.479 OA
ATOM     29  H   LIG    1        0.631  -2.391  -1.661  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  25  26
BRANCH  25  30
ATOM     30  C   LIG    1        3.202  -1.212  -0.035  0.00  0.00    +0.034 C 
BRANCH  30  32
ATOM     31  C   LIG    1        4.768  -3.190   0.015  0.00  0.00    +0.004 C 
ATOM     32  C   LIG    1        3.349  -2.721  -0.267  0.00  0.00    -0.001 C 
ENDBRANCH  30  32
ENDBRANCH  25  30
ENDBRANCH   1  25
TORSDOF 7