REMARK  Name = BDB059633
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.637  -0.265   0.692  0.00  0.00    -0.309 N 
ATOM      2  C   LIG    1       -3.533  -0.959  -0.149  0.00  0.00    +0.276 A 
ATOM      3  O   LIG    1       -4.727  -1.116   0.088  0.00  0.00    -0.265 OA
ATOM      4  C   LIG    1       -2.904  -1.486  -1.335  0.00  0.00    +0.112 A 
ATOM      5  C   LIG    1       -1.571  -1.345  -1.648  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -1.333  -2.009  -2.869  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1       -2.546  -2.533  -3.277  0.00  0.00    +0.084 A 
ATOM      8  C   LIG    1       -0.722  -0.623  -0.749  0.00  0.00    +0.008 A 
ATOM      9  N   LIG    1       -3.495  -2.208  -2.336  0.00  0.00    -0.356 N 
ATOM     10  H   LIG    1       -4.475  -2.461  -2.360  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1       -1.278  -0.112   0.376  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        0.715  -0.363  -0.977  0.00  0.00    -0.015 A 
ATOM     13  C   LIG    1        1.687  -0.919  -0.135  0.00  0.00    +0.021 A 
ATOM     14  C   LIG    1        3.042  -0.655  -0.362  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        3.439   0.126  -1.453  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        2.475   0.678  -2.295  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        1.120   0.439  -2.054  0.00  0.00    +0.008 A 
BRANCH  14  18
ATOM     18  C   LIG    1        4.049  -1.279   0.527  0.00  0.00    +0.246 C 
ATOM     19  N   LIG    1        5.043  -0.481   1.092  0.00  0.00    -0.304 N 
ATOM     20  C   LIG    1        4.960   0.965   1.240  0.00  0.00    +0.132 C 
ATOM     21  C   LIG    1        6.110  -1.137   1.829  0.00  0.00    +0.132 C 
ATOM     22  O   LIG    1        3.964  -2.490   0.715  0.00  0.00    -0.270 OA
ENDBRANCH  14  18
ENDBRANCH   8  12
BRANCH   1  23
ATOM     23  C   LIG    1       -3.161   0.330   1.912  0.00  0.00    +0.152 C 
BRANCH  23  26
ATOM     24  C   LIG    1       -5.051   3.712   1.384  0.00  0.00    +0.035 C 
ATOM     25  C   LIG    1       -4.730   2.276   1.635  0.00  0.00    -0.033 C 
ATOM     26  C   LIG    1       -3.483   1.776   1.660  0.00  0.00    -0.010 C 
ENDBRANCH  23  26
ENDBRANCH   1  23
TORSDOF 4