REMARK  Name = BDB031595
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.916  -0.015  -0.762  0.00  0.00    -0.303 N 
ATOM      2  H   LIG    1       -0.485   0.774  -1.231  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -0.252  -1.215  -0.688  0.00  0.00    +0.221 C 
ATOM      4  O   LIG    1       -0.821  -2.227  -0.278  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.194  -1.225  -1.221  0.00  0.00    +0.108 C 
ATOM      6  C   LIG    1        2.050  -0.093  -0.677  0.00  0.00    -0.015 A 
ATOM      7  C   LIG    1        2.851  -0.304   0.459  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1        3.618   0.760   0.950  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        3.578   2.019   0.348  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        2.794   2.221  -0.782  0.00  0.00    +0.000 A 
ATOM     11  N   LIG    1        3.047  -1.578   1.000  0.00  0.00    -0.344 N 
ATOM     12  H   LIG    1        3.261  -1.565   1.994  0.00  0.00    +0.146 HD
ATOM     13  C   LIG    1        2.156  -2.652   0.592  0.00  0.00    +0.102 C 
ATOM     14  C   LIG    1        2.043   1.169  -1.301  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        1.865  -2.568  -0.903  0.00  0.00    +0.036 C 
ENDBRANCH   3   5
BRANCH   1  22
ATOM     16  O   LIG    1       -5.386   2.259   1.359  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -4.517   1.575   0.826  0.00  0.00    +0.219 C 
ATOM     18  N   LIG    1       -4.019   1.906  -0.409  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1       -4.351   2.787  -0.777  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1       -2.841   1.450  -0.948  0.00  0.00    +0.240 C 
ATOM     21  O   LIG    1       -2.265   2.075  -1.838  0.00  0.00    -0.273 OA
ATOM     22  C   LIG    1       -2.311   0.129  -0.381  0.00  0.00    +0.160 C 
ATOM     23  C   LIG    1       -2.495   0.132   1.133  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1       -3.968   0.320   1.464  0.00  0.00    +0.098 C 
ENDBRANCH   1  22
TORSDOF 2