REMARK  Name = BDB021923
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.320   0.065   0.206  0.00  0.00    -0.237 N 
ATOM      2  H   LIG    1        3.426   0.794   0.887  0.00  0.00    +0.159 HD
ATOM      3  C   LIG    1        2.156  -0.033  -0.507  0.00  0.00    +0.306 C 
ATOM      4  N   LIG    1        1.153   0.714   0.096  0.00  0.00    -0.296 N 
ATOM      5  H   LIG    1        1.230   0.785   1.099  0.00  0.00    +0.151 HD
ATOM      6  O   LIG    1        1.970  -0.659  -1.542  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -0.204   0.717  -0.449  0.00  0.00    +0.077 C 
ATOM      8  C   LIG    1       -0.979   1.947   0.049  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -2.481   1.685   0.216  0.00  0.00    +0.086 C 
ATOM     10  N   LIG    1       -2.949   0.774  -0.816  0.00  0.00    -0.298 NA
ATOM     11  C   LIG    1       -2.359  -0.564  -0.718  0.00  0.00    +0.086 C 
ATOM     12  C   LIG    1       -0.955  -0.568  -0.102  0.00  0.00    +0.038 C 
BRANCH  10  13
ATOM     13  C   LIG    1       -4.398   0.777  -1.041  0.00  0.00    +0.119 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -5.270   0.345   0.121  0.00  0.00    -0.033 A 
ATOM     15  C   LIG    1       -5.700  -0.985   0.236  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1       -6.507  -1.383   1.304  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -6.897  -0.456   2.268  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -6.485   0.871   2.162  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -5.678   1.270   1.094  0.00  0.00    +0.005 A 
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  22
ATOM     20  N   LIG    1        6.473  -1.167   0.014  0.00  0.00    -0.250 N 
ATOM     21  N   LIG    1        5.604  -0.315   0.587  0.00  0.00    -0.133 NA
ATOM     22  C   LIG    1        4.478  -0.596  -0.080  0.00  0.00    +0.242 A 
ATOM     23  N   LIG    1        4.601  -1.590  -1.005  0.00  0.00    -0.202 NA
ATOM     24  C   LIG    1        5.866  -1.927  -0.931  0.00  0.00    +0.221 A 
BRANCH  20  26
ATOM     25  C   LIG    1        8.689  -0.128  -0.243  0.00  0.00    +0.029 C 
ATOM     26  C   LIG    1        7.857  -1.207   0.427  0.00  0.00    +0.142 C 
ENDBRANCH  20  26
ENDBRANCH   1  22
TORSDOF 5