REMARK  Name = BDB043865
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.810  -0.505   2.179  0.00  0.00    -0.265 N 
ATOM      2  N   LIG    1        1.608   0.482   3.078  0.00  0.00    -0.177 NA
ATOM      3  C   LIG    1        0.407   0.964   2.743  0.00  0.00    +0.157 A 
ATOM      4  C   LIG    1       -0.169   0.281   1.649  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        0.764  -0.670   1.314  0.00  0.00    +0.132 A 
ENDROOT
BRANCH   4   6
ATOM      6  N   LIG    1       -1.392   0.530   1.067  0.00  0.00    -0.278 N 
ATOM      7  H   LIG    1       -1.965   1.284   1.437  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -1.944  -0.150  -0.002  0.00  0.00    +0.269 C 
ATOM      9  O   LIG    1       -1.435  -1.092  -0.602  0.00  0.00    -0.268 OA
BRANCH   8  10
ATOM     10  C   LIG    1       -3.267   0.394  -0.362  0.00  0.00    +0.155 A 
ATOM     11  C   LIG    1       -4.133  -0.045  -1.407  0.00  0.00    +0.032 A 
ATOM     12  C   LIG    1       -5.244   0.787  -1.330  0.00  0.00    +0.066 A 
ATOM     13  C   LIG    1       -6.339   0.683  -2.193  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -6.287  -0.315  -3.171  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -5.188  -1.165  -3.276  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1       -4.987   1.636  -0.290  0.00  0.00    -0.276 N 
ATOM     17  H   LIG    1       -5.584   2.381   0.053  0.00  0.00    +0.189 HD
ATOM     18  C   LIG    1       -4.102  -1.043  -2.401  0.00  0.00    +0.012 A 
ATOM     19  N   LIG    1       -3.806   1.431   0.320  0.00  0.00    -0.168 NA
ENDBRANCH   8  10
ENDBRANCH   4   6
BRANCH   1  20
ATOM     20  C   LIG    1        3.033  -1.294   2.220  0.00  0.00    +0.178 C 
BRANCH  20  23
ATOM     21  C   LIG    1        5.705   0.921   0.627  0.00  0.00    +0.052 A 
ATOM     22  C   LIG    1        4.758   0.422   1.529  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1        4.062  -0.767   1.250  0.00  0.00    -0.025 A 
ATOM     24  C   LIG    1        4.327  -1.443   0.050  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        5.272  -0.947  -0.849  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        5.961   0.232  -0.562  0.00  0.00    +0.019 A 
BRANCH  21  28
ATOM     27  N   LIG    1        6.988   3.115   1.151  0.00  0.00    -0.191 NA
ATOM     28  C   LIG    1        6.409   2.135   0.919  0.00  0.00    +0.099 C 
ENDBRANCH  21  28
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 5