REMARK  Name = BDB031582
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.805   0.284   0.259  0.00  0.00    -0.303 N 
ATOM      2  H   LIG    1        0.413   1.222   0.306  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -0.020  -0.793   0.505  0.00  0.00    +0.221 C 
ATOM      4  O   LIG    1        0.315  -1.943   0.239  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1        5.961   1.195  -1.234  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        4.801   0.833  -1.061  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1        3.751   1.621  -1.460  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1        4.013   2.531  -1.814  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1        2.447   1.497  -1.049  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1        1.653   2.433  -1.146  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1        2.046   0.130  -0.487  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1        3.176  -0.405   0.385  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1        4.450  -0.499  -0.439  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1       -1.352  -0.414   1.136  0.00  0.00    +0.107 C 
ATOM     15  C   LIG    1       -2.400   0.035   0.154  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1       -3.649  -0.470   0.508  0.00  0.00    +0.045 A 
ATOM     17  N   LIG    1       -4.797  -0.214  -0.139  0.00  0.00    -0.260 NA
ATOM     18  C   LIG    1       -4.679   0.592  -1.218  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1       -3.478   1.149  -1.652  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -3.564  -1.308   1.751  0.00  0.00    +0.057 C 
ATOM     21  C   LIG    1       -2.309   0.872  -0.945  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -2.065  -1.619   1.787  0.00  0.00    +0.023 C 
ENDBRANCH   3  14
TORSDOF 2