REMARK  Name = BDB047621
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.169   1.133  -0.192  0.00  0.00    +0.008 A 
ATOM      2  C   LIG    1        2.526   0.722   0.017  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1        2.740  -0.526   0.639  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1        1.963  -1.156   0.438  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1        4.025  -1.197   0.511  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1        5.038  -0.474   1.370  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1        5.679   0.618   0.580  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1        4.935   1.499  -0.133  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1        5.528   2.216  -0.532  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        6.904   0.770   0.599  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1        3.859  -2.639   1.000  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1        3.546   1.636  -0.345  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1        3.203   2.838  -1.000  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        1.881   3.190  -1.249  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        0.866   2.347  -0.830  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  19
ATOM     16  N   LIG    1       -1.839  -0.817   0.261  0.00  0.00    -0.264 N 
ATOM     17  N   LIG    1       -1.397  -0.907   1.536  0.00  0.00    -0.178 NA
ATOM     18  C   LIG    1       -0.264  -0.199   1.532  0.00  0.00    +0.143 A 
ATOM     19  C   LIG    1        0.044   0.324   0.257  0.00  0.00    +0.021 A 
ATOM     20  C   LIG    1       -0.993  -0.098  -0.545  0.00  0.00    +0.117 A 
BRANCH  16  22
ATOM     21  C   LIG    1       -3.461  -2.691   0.672  0.00  0.00    +0.038 C 
ATOM     22  C   LIG    1       -3.088  -1.460  -0.161  0.00  0.00    +0.134 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.224  -0.449  -0.215  0.00  0.00    -0.023 A 
ATOM     24  C   LIG    1       -4.916  -0.231  -1.417  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1       -5.966   0.688  -1.477  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.338   1.399  -0.338  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.663   1.191   0.863  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.615   0.272   0.926  0.00  0.00    +0.006 A 
ENDBRANCH  22  23
ENDBRANCH  16  22
ENDBRANCH   1  19
TORSDOF 3