REMARK  Name = BDB053679
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.122  -0.355   0.859  0.00  0.00    -0.295 N 
ATOM      2  H   LIG    1       -0.500  -0.289   1.657  0.00  0.00    +0.151 HD
ATOM      3  C   LIG    1        1.425  -0.202   1.244  0.00  0.00    +0.305 C 
ATOM      4  N   LIG    1        2.332  -0.174   0.222  0.00  0.00    -0.254 N 
ATOM      5  H   LIG    1        2.031  -0.559  -0.654  0.00  0.00    +0.158 HD
ATOM      6  O   LIG    1        1.655  -0.116   2.445  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.697   0.112   0.358  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1        4.187   0.611   1.506  0.00  0.00    -0.240 NA
ATOM      9  C   LIG    1        5.506   0.881   1.586  0.00  0.00    +0.114 A 
ATOM     10  C   LIG    1        6.387   0.686   0.543  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1        5.872   0.184  -0.646  0.00  0.00    +0.056 A 
ATOM     12  C   LIG    1        4.510  -0.106  -0.746  0.00  0.00    +0.062 A 
BRANCH  11  13
ATOM     13  C   LIG    1        6.734  -0.036  -1.768  0.00  0.00    +0.099 C 
ATOM     14  N   LIG    1        7.423  -0.215  -2.684  0.00  0.00    -0.191 NA
ENDBRANCH  11  13
ENDBRANCH   4   7
BRANCH   1  15
ATOM     15  C   LIG    1       -0.446  -0.072  -0.439  0.00  0.00    +0.141 C 
BRANCH  15  19
ATOM     16  C   LIG    1       -4.745  -0.498  -0.332  0.00  0.00    +0.120 A 
ATOM     17  C   LIG    1       -4.159   0.757  -0.168  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1       -2.766   0.894  -0.208  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1       -1.943  -0.219  -0.421  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1       -2.536  -1.478  -0.571  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1       -3.926  -1.611  -0.531  0.00  0.00    +0.046 A 
BRANCH  16  23
ATOM     22  C   LIG    1       -6.961   0.328  -0.089  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1       -6.085  -0.770  -0.314  0.00  0.00    -0.495 OA
ENDBRANCH  16  23
ENDBRANCH  15  19
ENDBRANCH   1  15
TORSDOF 5