REMARK  Name = BDB057589
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.892   0.355   0.106  0.00  0.00    -0.221 N 
ATOM      2  H   LIG    1       -1.439  -0.492   0.285  0.00  0.00    +0.176 HD
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1       -2.896   1.863   0.068  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1       -1.559   1.526  -0.007  0.00  0.00    +0.148 A 
ATOM      5  N   LIG    1       -0.886   2.689  -0.245  0.00  0.00    -0.262 N 
ATOM      6  H   LIG    1        0.116   2.783  -0.354  0.00  0.00    +0.190 HD
ATOM      7  N   LIG    1       -1.678   3.772  -0.333  0.00  0.00    -0.177 NA
ATOM      8  C   LIG    1       -2.909   3.275  -0.143  0.00  0.00    +0.076 A 
ATOM      9  C   LIG    1       -4.085   4.183  -0.168  0.00  0.00    +0.068 C 
BRANCH   3  10
ATOM     10  C   LIG    1       -4.027   0.989   0.306  0.00  0.00    +0.344 C 
ATOM     11  O   LIG    1       -5.186   1.384   0.356  0.00  0.00    -0.245 OA
BRANCH  10  12
ATOM     12  O   LIG    1       -3.663  -0.321   0.468  0.00  0.00    -0.461 OA
BRANCH  12  14
ATOM     13  C   LIG    1       -4.204  -2.611   0.863  0.00  0.00    +0.048 C 
ATOM     14  C   LIG    1       -4.761  -1.210   0.705  0.00  0.00    +0.229 C 
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   3  10
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  N   LIG    1        0.460   0.280  -0.010  0.00  0.00    -0.189 NA
ATOM     16  C   LIG    1        0.956  -0.910   0.122  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.406  -1.171   0.025  0.00  0.00    -0.005 A 
ATOM     18  C   LIG    1        3.303  -0.121  -0.218  0.00  0.00    +0.019 A 
ATOM     19  C   LIG    1        4.679  -0.407  -0.304  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        5.106  -1.726  -0.146  0.00  0.00    +0.046 A 
ATOM     21  N   LIG    1        6.477  -1.725  -0.276  0.00  0.00    -0.361 N 
ATOM     22  H   LIG    1        7.061  -2.547  -0.207  0.00  0.00    +0.165 HD
ATOM     23  C   LIG    1        6.930  -0.454  -0.509  0.00  0.00    +0.083 A 
ATOM     24  C   LIG    1        4.223  -2.785   0.096  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1        5.839   0.384  -0.532  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1        2.859  -2.484   0.179  0.00  0.00    +0.011 A 
ENDBRANCH  16  17
ENDBRANCH   1  15
TORSDOF 6