REMARK  Name = BDB064398
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.731   0.230  -1.494  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.123  -0.960  -1.149  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -0.558  -1.556  -0.460  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.188   1.084  -2.192  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   9
ATOM      5  O   LIG    1       -3.951   3.290  -0.154  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -3.428   2.192  -0.195  0.00  0.00    +0.214 C 
ATOM      7  N   LIG    1       -2.695   1.690  -1.244  0.00  0.00    -0.304 N 
ATOM      8  H   LIG    1       -2.440   2.259  -2.044  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1       -2.178   0.370  -0.995  0.00  0.00    +0.159 C 
ATOM     10  C   LIG    1       -2.323   0.222   0.513  0.00  0.00    +0.041 C 
ATOM     11  C   LIG    1       -3.501   1.127   0.867  0.00  0.00    +0.098 C 
ENDBRANCH   1   9
BRANCH   2  12
ATOM     12  C   LIG    1        1.279  -1.196  -1.416  0.00  0.00    +0.139 C 
BRANCH  12  13
ATOM     13  C   LIG    1        2.094  -0.958  -0.171  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1        2.471  -2.025   0.656  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        3.202  -1.790   1.822  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        3.557  -0.490   2.175  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        3.181   0.579   1.365  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        2.451   0.348   0.198  0.00  0.00    +0.005 A 
ENDBRANCH  12  13
ENDBRANCH   2  12
TORSDOF 3