REMARK  Name = BDB027968
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.054  -0.579  -0.384  0.00  0.00    -0.333 N 
ATOM      2  H   LIG    1       -1.389  -1.238   0.315  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.926   0.590  -0.582  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1       -1.999   1.464   0.676  0.00  0.00    +0.239 C 
ATOM      5  O   LIG    1       -1.361   2.506   0.811  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1       -2.840   1.025   1.671  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1       -2.876   1.629   2.482  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1       -3.963   0.265   1.485  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -4.863   0.254   2.321  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -4.023  -0.569   0.229  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1       -3.340   0.126  -0.940  0.00  0.00    +0.041 C 
ENDBRANCH   1   3
BRANCH   1  15
ATOM     12  C   LIG    1        3.178  -0.393  -0.245  0.00  0.00    -0.034 A 
ATOM     13  C   LIG    1        2.447   0.719  -0.676  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1        1.047   0.683  -0.721  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        0.336  -0.446  -0.305  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        1.081  -1.564   0.099  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1        2.479  -1.538   0.146  0.00  0.00    +0.007 A 
BRANCH  12  18
ATOM     18  C   LIG    1        4.681  -0.344  -0.172  0.00  0.00    +0.113 C 
BRANCH  18  19
ATOM     19  N   LIG    1        5.131   0.153   1.123  0.00  0.00    -0.326 NA
ATOM     20  H   LIG    1        4.724   1.075   1.276  0.00  0.00    +0.119 HD
ATOM     21  H   LIG    1        4.735  -0.439   1.853  0.00  0.00    +0.119 HD
ENDBRANCH  18  19
ENDBRANCH  12  18
ENDBRANCH   1  15
TORSDOF 4