REMARK  Name = BDB046336
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.315   1.043  -0.747  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1        0.381   0.055  -0.507  0.00  0.00    +0.230 C 
ATOM      3  N   LIG    1        1.780   0.134  -0.526  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1        2.626  -1.051  -0.652  0.00  0.00    +0.161 C 
ATOM      5  C   LIG    1        4.085  -0.768  -0.362  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1        4.910  -1.871  -0.321  0.00  0.00    -0.324 N 
ATOM      7  H   LIG    1        4.539  -2.798  -0.493  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1        6.259  -1.843  -0.064  0.00  0.00    +0.257 A 
ATOM      9  C   LIG    1        6.847  -0.513   0.215  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1        6.020   0.622   0.188  0.00  0.00    -0.008 A 
ATOM     11  C   LIG    1        6.604   1.862   0.490  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        7.968   1.962   0.790  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        8.772   0.825   0.800  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        8.213  -0.417   0.514  0.00  0.00    +0.014 A 
ATOM     15  O   LIG    1        6.929  -2.869  -0.061  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1        4.583   0.466  -0.142  0.00  0.00    -0.017 A 
ATOM     17  C   LIG    1        3.692   1.679  -0.231  0.00  0.00    +0.056 C 
ATOM     18  C   LIG    1        2.378   1.393  -0.959  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   2  19
ATOM     19  C   LIG    1       -0.221  -1.327  -0.171  0.00  0.00    +0.180 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -1.683  -1.373  -0.018  0.00  0.00    -0.292 NA
ATOM     21  C   LIG    1       -2.443  -1.026  -1.230  0.00  0.00    +0.100 C 
ATOM     22  C   LIG    1       -3.469   0.126  -1.066  0.00  0.00    +0.100 C 
ATOM     23  N   LIG    1       -4.375   0.029   0.103  0.00  0.00    -0.297 NA
ATOM     24  C   LIG    1       -3.723  -0.706   1.208  0.00  0.00    +0.100 C 
ATOM     25  C   LIG    1       -2.179  -0.665   1.169  0.00  0.00    +0.100 C 
BRANCH  23  26
ATOM     26  C   LIG    1       -5.706  -0.507  -0.240  0.00  0.00    +0.057 C 
ATOM     27  C   LIG    1       -6.531   0.505  -1.059  0.00  0.00    +0.019 C 
ATOM     28  C   LIG    1       -7.067   1.503  -0.034  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1       -7.128   0.743   1.289  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1       -6.652  -0.670   0.966  0.00  0.00    +0.019 C 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 3