REMARK  Name = BDB054150
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.278   0.964  -0.064  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1        1.943   0.276  -0.014  0.00  0.00    +0.107 A 
ATOM      3  N   LIG    1        1.970  -1.087   0.085  0.00  0.00    -0.311 N 
ATOM      4  H   LIG    1        2.843  -1.593   0.119  0.00  0.00    +0.170 HD
ATOM      5  C   LIG    1        0.838  -1.859   0.131  0.00  0.00    +0.259 A 
ATOM      6  O   LIG    1        0.889  -3.081   0.203  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -0.437  -1.126   0.084  0.00  0.00    +0.066 A 
ATOM      8  C   LIG    1       -0.376   0.267  -0.006  0.00  0.00    +0.099 A 
ATOM      9  C   LIG    1       -1.582   0.995  -0.069  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1       -2.805   0.320   0.028  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -2.845  -1.074   0.113  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -1.659  -1.804   0.137  0.00  0.00    +0.015 A 
ATOM     13  N   LIG    1        0.853   0.967  -0.067  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   9  14
ATOM     14  N   LIG    1       -1.558   2.405  -0.032  0.00  0.00    -0.356 N 
ATOM     15  H   LIG    1       -0.632   2.740  -0.305  0.00  0.00    +0.142 HD
ATOM     16  H   LIG    1       -2.313   2.844  -0.545  0.00  0.00    +0.142 HD
ENDBRANCH   9  14
TORSDOF 1