REMARK  Name = BDB029395
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.102   0.062   0.014  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1        0.930  -0.714  -0.549  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        2.218  -0.208  -0.555  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        3.485  -0.812  -1.085  0.00  0.00    +0.133 C 
ATOM      5  C   LIG    1        4.517   0.277  -0.766  0.00  0.00    +0.222 C 
ATOM      6  N   LIG    1        3.845   1.321  -0.142  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1        4.309   2.161   0.168  0.00  0.00    +0.155 HD
ATOM      8  O   LIG    1        5.711   0.243  -1.010  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1        2.494   1.044  -0.016  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        1.520   1.837   0.545  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        0.213   1.335   0.556  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  16
ATOM     12  C   LIG    1       -3.831  -0.203  -0.493  0.00  0.00    +0.117 A 
ATOM     13  N   LIG    1       -4.130  -1.378   0.078  0.00  0.00    -0.241 NA
ATOM     14  C   LIG    1       -3.119  -2.082   0.628  0.00  0.00    +0.113 A 
ATOM     15  C   LIG    1       -1.801  -1.663   0.632  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -1.486  -0.438   0.040  0.00  0.00    -0.013 A 
ATOM     17  C   LIG    1       -2.534   0.297  -0.531  0.00  0.00    +0.051 A 
BRANCH  12  18
ATOM     18  N   LIG    1       -4.879   0.522  -1.070  0.00  0.00    -0.343 N 
ATOM     19  H   LIG    1       -4.947   1.435  -0.631  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1       -4.697   0.656  -2.059  0.00  0.00    +0.144 HD
ENDBRANCH  12  18
ENDBRANCH   1  16
TORSDOF 2