REMARK  Name = BDB057598
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.237  -0.460   1.182  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -1.611  -0.368   1.267  0.00  0.00    +0.100 A 
ATOM      3  C   LIG    1       -1.910  -0.867   2.572  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1       -3.217  -0.910   3.276  0.00  0.00    +0.068 C 
ATOM      5  N   LIG    1       -0.817  -1.326   3.198  0.00  0.00    -0.177 NA
ATOM      6  N   LIG    1        0.179  -1.055   2.335  0.00  0.00    -0.262 N 
ATOM      7  H   LIG    1        1.138  -1.273   2.578  0.00  0.00    +0.190 HD
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -2.474   0.198   0.237  0.00  0.00    +0.256 C 
ATOM      9  N   LIG    1       -3.728  -0.414   0.046  0.00  0.00    -0.270 N 
ATOM     10  C   LIG    1       -3.824  -1.874   0.102  0.00  0.00    +0.138 C 
ATOM     11  O   LIG    1       -2.070   1.149  -0.431  0.00  0.00    -0.269 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -4.862   0.323  -0.458  0.00  0.00    +0.036 A 
ATOM     13  C   LIG    1       -4.879   1.727  -0.466  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -5.990   2.444  -0.926  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -7.119   1.772  -1.378  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -7.138   0.383  -1.362  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -6.025  -0.332  -0.901  0.00  0.00    +0.023 A 
ENDBRANCH   9  12
ENDBRANCH   2   8
BRANCH   1  18
ATOM     18  N   LIG    1        0.642  -0.083   0.227  0.00  0.00    -0.221 N 
ATOM     19  H   LIG    1        0.277   0.487  -0.544  0.00  0.00    +0.176 HD
BRANCH  18  21
ATOM     20  C   LIG    1        2.698   0.244  -0.588  0.00  0.00    +0.138 C 
ATOM     21  N   LIG    1        1.983  -0.258   0.369  0.00  0.00    -0.189 NA
BRANCH  20  25
ATOM     22  C   LIG    1        6.968  -0.005  -0.667  0.00  0.00    +0.120 A 
ATOM     23  C   LIG    1        6.252  -0.572   0.391  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        4.857  -0.498   0.431  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1        4.171   0.148  -0.598  0.00  0.00    -0.005 A 
ATOM     26  C   LIG    1        4.877   0.718  -1.660  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        6.275   0.641  -1.694  0.00  0.00    +0.046 A 
BRANCH  22  29
ATOM     28  C   LIG    1        9.102   0.414  -1.628  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1        8.324  -0.150  -0.580  0.00  0.00    -0.495 OA
ENDBRANCH  22  29
ENDBRANCH  20  25
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 6