REMARK  Name = BDB016282
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.787   1.179  -0.624  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1        1.923   0.365  -0.354  0.00  0.00    +0.150 A 
ATOM      3  O   LIG    1        1.606  -0.946  -0.141  0.00  0.00    -0.486 OA
ATOM      4  C   LIG    1        2.459  -1.790   0.618  0.00  0.00    +0.179 C 
ATOM      5  C   LIG    1        3.731  -2.091  -0.137  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1        4.762  -1.021  -0.000  0.00  0.00    +0.221 C 
ATOM      7  N   LIG    1        4.433   0.286  -0.132  0.00  0.00    -0.282 N 
ATOM      8  H   LIG    1        5.261   0.869  -0.084  0.00  0.00    +0.155 HD
ATOM      9  O   LIG    1        5.948  -1.311   0.177  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        2.605  -1.363   2.077  0.00  0.00    +0.052 C 
ATOM     11  C   LIG    1        3.204   0.940  -0.333  0.00  0.00    +0.076 A 
ATOM     12  C   LIG    1        3.326   2.329  -0.534  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        2.217   3.133  -0.780  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        0.955   2.559  -0.831  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  21
ATOM     15  C   LIG    1       -4.179   1.238   2.323  0.00  0.00    +0.068 C 
ATOM     16  C   LIG    1       -3.994   0.490   1.056  0.00  0.00    +0.068 A 
ATOM     17  C   LIG    1       -2.820   0.410   0.260  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1       -3.167  -0.409  -0.810  0.00  0.00    +0.069 A 
ATOM     19  C   LIG    1       -2.266  -0.738  -1.829  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1       -0.973  -0.206  -1.742  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1       -0.581   0.625  -0.680  0.00  0.00    -0.014 A 
ATOM     22  N   LIG    1       -4.478  -0.750  -0.587  0.00  0.00    -0.267 N 
ATOM     23  C   LIG    1       -5.296  -1.595  -1.423  0.00  0.00    +0.173 C 
ATOM     24  C   LIG    1       -1.514   0.934   0.328  0.00  0.00    +0.020 A 
ATOM     25  N   LIG    1       -5.003  -0.216   0.533  0.00  0.00    -0.176 NA
ENDBRANCH   1  21
TORSDOF 1