REMARK  Name = BDB031581
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.028  -0.152   0.392  0.00  0.00    -0.303 N 
ATOM      2  H   LIG    1        1.032  -0.630   1.289  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -0.179   0.164  -0.199  0.00  0.00    +0.221 C 
ATOM      4  O   LIG    1       -0.250   0.511  -1.373  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1        6.322   0.275  -0.812  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        5.110   0.091  -0.755  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1        4.587  -0.934  -0.007  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1        5.265  -1.444   0.544  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1        3.286  -1.036   0.416  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1        2.981  -1.732   1.385  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1        2.252  -0.248  -0.394  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1        2.829   1.121  -0.736  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1        4.122   0.945  -1.516  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1       -1.366   0.081   0.754  0.00  0.00    +0.107 C 
ATOM     15  C   LIG    1       -2.715   0.370   0.158  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1       -3.670  -0.526   0.628  0.00  0.00    +0.045 A 
ATOM     17  N   LIG    1       -4.975  -0.496   0.317  0.00  0.00    -0.260 NA
ATOM     18  C   LIG    1       -5.339   0.493  -0.531  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1       -4.461   1.442  -1.051  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -3.067  -1.505   1.591  0.00  0.00    +0.057 C 
ATOM     21  C   LIG    1       -3.116   1.386  -0.690  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -1.577  -1.361   1.267  0.00  0.00    +0.023 C 
ENDBRANCH   3  14
TORSDOF 2