REMARK  Name = BDB037921
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.444   0.364   1.514  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.869   0.662   1.246  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1        1.492   1.127   0.014  0.00  0.00    +0.126 C 
ATOM      4  C   LIG    1        2.529   0.001   0.211  0.00  0.00    +0.087 C 
ATOM      5  C   LIG    1        4.030   0.365   0.009  0.00  0.00    +0.229 C 
ATOM      6  O   LIG    1        4.660   1.319   0.444  0.00  0.00    -0.275 OA
ATOM      7  N   LIG    1        4.579  -0.593  -0.784  0.00  0.00    -0.256 N 
ATOM      8  H   LIG    1        5.548  -0.585  -1.059  0.00  0.00    +0.157 HD
ATOM      9  C   LIG    1        3.704  -1.548  -1.210  0.00  0.00    +0.220 C 
ATOM     10  O   LIG    1        3.991  -2.482  -1.940  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1        2.332  -1.252  -0.650  0.00  0.00    +0.115 C 
ATOM     12  C   LIG    1        2.031  -0.108   1.667  0.00  0.00    +0.126 C 
ATOM     13  O   LIG    1       -0.816  -0.427   2.372  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1       -2.293   0.403  -0.159  0.00  0.00    +0.071 A 
ATOM     15  C   LIG    1       -1.456   1.088   0.726  0.00  0.00    +0.051 A 
ATOM     16  C   LIG    1       -1.620   2.462   0.939  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -2.625   3.151   0.259  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -3.466   2.471  -0.624  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -3.302   1.100  -0.837  0.00  0.00    +0.016 A 
BRANCH  14  20
ATOM     20  C   LIG    1       -2.053  -1.022  -0.453  0.00  0.00    +0.340 C 
ATOM     21  O   LIG    1       -0.947  -1.486  -0.675  0.00  0.00    -0.245 OA
BRANCH  20  23
ATOM     22  C   LIG    1       -3.104  -3.089  -0.682  0.00  0.00    +0.280 C 
ATOM     23  O   LIG    1       -3.234  -1.685  -0.452  0.00  0.00    -0.464 OA
ENDBRANCH  20  23
ENDBRANCH  14  20
ENDBRANCH   1  15
TORSDOF 3