REMARK  Name = BDB031583
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.235  -0.038  -0.738  0.00  0.00    -0.300 N 
ATOM      2  H   LIG    1       -0.306   0.481   0.128  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        0.770  -0.968  -0.863  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1        0.960  -1.598  -1.898  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1       -4.970   0.755  -0.847  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -3.830   0.645  -1.290  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1       -3.049   1.751  -1.503  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1       -3.475   2.611  -1.181  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -1.679   1.745  -1.473  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1       -1.060   2.701  -1.007  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1       -0.980   0.446  -1.893  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1       -1.980  -0.569  -2.446  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -3.182  -0.698  -1.523  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1        1.562  -1.182   0.333  0.00  0.00    +0.082 A 
ATOM     15  C   LIG    1        1.917  -0.305   1.411  0.00  0.00    +0.032 A 
ATOM     16  C   LIG    1        2.673  -1.077   2.289  0.00  0.00    +0.136 A 
ATOM     17  C   LIG    1        3.209  -0.611   3.488  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1        2.973   0.729   3.803  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        2.243   1.550   2.942  0.00  0.00    +0.001 A 
ATOM     20  O   LIG    1        2.824  -2.339   1.808  0.00  0.00    -0.462 OA
ATOM     21  C   LIG    1        1.714   1.052   1.741  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        2.174  -2.387   0.620  0.00  0.00    +0.209 A 
ENDBRANCH   3  14
TORSDOF 2