REMARK  Name = BDB014227
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.780   0.757  -0.236  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1        1.710  -0.002   0.244  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1        1.927  -1.144   1.002  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1        0.662  -1.683   1.333  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -0.309  -0.869   0.777  0.00  0.00    +0.022 A 
ATOM      6  N   LIG    1        3.163  -1.595   1.324  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1        4.183  -0.849   0.851  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1        0.348   0.148   0.118  0.00  0.00    -0.356 N 
ATOM      9  H   LIG    1       -0.089   0.907  -0.393  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1        4.058   0.303   0.089  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -1.803  -0.979   0.820  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -2.487   0.295   1.345  0.00  0.00    +0.009 C 
ATOM     13  C   LIG    1       -3.204   0.893   0.142  0.00  0.00    +0.001 C 
ATOM     14  C   LIG    1       -3.625  -0.328  -0.655  0.00  0.00    +0.001 C 
ATOM     15  C   LIG    1       -2.411  -1.243  -0.569  0.00  0.00    +0.009 C 
ENDBRANCH   5  11
BRANCH   1  17
ATOM     16  O   LIG    1        1.425   2.393  -1.344  0.00  0.00    -0.245 OA
ATOM     17  C   LIG    1        2.525   1.967  -1.040  0.00  0.00    +0.339 C 
BRANCH  17  18
ATOM     18  O   LIG    1        3.656   2.582  -1.424  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1        3.348   3.356  -1.941  0.00  0.00    +0.295 HD
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 3