REMARK  Name = BDB021925
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.839   0.894  -0.485  0.00  0.00    -0.296 N 
ATOM      2  H   LIG    1        1.227   1.706  -0.027  0.00  0.00    +0.151 HD
ATOM      3  C   LIG    1        1.690  -0.195  -0.545  0.00  0.00    +0.304 C 
ATOM      4  N   LIG    1        2.999   0.225  -0.642  0.00  0.00    -0.269 N 
ATOM      5  H   LIG    1        3.116   1.193  -0.900  0.00  0.00    +0.156 HD
ATOM      6  O   LIG    1        1.292  -1.351  -0.526  0.00  0.00    -0.253 OA
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1       -3.304   0.928   0.299  0.00  0.00    -0.302 NA
ATOM      8  C   LIG    1       -2.496   0.094   1.206  0.00  0.00    +0.086 C 
ATOM      9  C   LIG    1       -0.985   0.333   1.092  0.00  0.00    +0.037 C 
ATOM     10  C   LIG    1       -0.604   0.706  -0.340  0.00  0.00    +0.077 C 
ATOM     11  C   LIG    1       -1.357   1.969  -0.783  0.00  0.00    +0.037 C 
ATOM     12  C   LIG    1       -2.651   2.202   0.005  0.00  0.00    +0.086 C 
BRANCH   7  13
ATOM     13  C   LIG    1       -4.676   1.122   0.790  0.00  0.00    +0.084 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -5.647  -0.899  -0.427  0.00  0.00    +0.005 C 
ATOM     15  C   LIG    1       -5.494  -0.172   0.902  0.00  0.00    +0.012 C 
ENDBRANCH  13  15
ENDBRANCH   7  13
ENDBRANCH   1  10
BRANCH   4  16
ATOM     16  C   LIG    1        4.158  -0.575  -0.640  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1        4.159  -1.941  -0.355  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        5.358  -2.668  -0.363  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1        6.577  -2.048  -0.655  0.00  0.00    +0.108 A 
ATOM     20  C   LIG    1        6.572  -0.673  -0.927  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1        5.375   0.056  -0.920  0.00  0.00    +0.025 A 
BRANCH  19  22
ATOM     22  N   LIG    1        7.725  -2.818  -0.632  0.00  0.00    -0.031 NA
ATOM     23  O   LIG    1        8.688  -2.313  -1.222  0.00  0.00    -0.143 OA
ENDBRANCH  19  22
ENDBRANCH   4  16
TORSDOF 5