REMARK  Name = BDB056531
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        6.561  -2.624  -0.498  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1        7.396  -2.222  -0.100  0.00  0.00    +0.147 HD
ATOM      3  H   LIG    1        6.486  -3.633  -0.462  0.00  0.00    +0.147 HD
ATOM      4  C   LIG    1        5.360  -1.963  -0.511  0.00  0.00    +0.317 C 
ATOM      5  N   LIG    1        5.475  -0.559  -0.386  0.00  0.00    -0.255 N 
ATOM      6  C   LIG    1        4.425   0.329  -0.163  0.00  0.00    +0.149 A 
ATOM      7  C   LIG    1        4.937   1.624  -0.123  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1        4.036   2.676   0.085  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        2.687   2.356   0.248  0.00  0.00    +0.029 A 
ATOM     10  C   LIG    1        2.273   1.023   0.213  0.00  0.00    +0.073 A 
ATOM     11  C   LIG    1        6.332   1.534  -0.324  0.00  0.00    +0.030 A 
ATOM     12  N   LIG    1        3.128  -0.005   0.006  0.00  0.00    -0.229 NA
ATOM     13  C   LIG    1        6.640   0.203  -0.484  0.00  0.00    +0.098 A 
ATOM     14  O   LIG    1        4.285  -2.535  -0.607  0.00  0.00    -0.249 OA
ENDROOT
BRANCH  10  15
ATOM     15  C   LIG    1        0.854   0.629   0.387  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -0.041   1.367   1.183  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1       -1.380   0.981   1.331  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1       -1.870  -0.159   0.683  0.00  0.00    -0.033 A 
ATOM     19  C   LIG    1       -0.987  -0.914  -0.096  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        0.350  -0.525  -0.239  0.00  0.00    +0.010 A 
BRANCH  18  21
ATOM     21  C   LIG    1       -3.310  -0.592   0.863  0.00  0.00    +0.119 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.013  -0.829  -0.407  0.00  0.00    -0.294 NA
ATOM     23  C   LIG    1       -5.274  -1.562  -0.168  0.00  0.00    +0.113 C 
ATOM     24  C   LIG    1       -6.275  -1.362  -1.314  0.00  0.00    +0.175 C 
ATOM     25  O   LIG    1       -6.699   0.003  -1.438  0.00  0.00    -0.377 OA
ATOM     26  C   LIG    1       -5.697   0.943  -1.026  0.00  0.00    +0.175 C 
ATOM     27  C   LIG    1       -4.263   0.411  -1.173  0.00  0.00    +0.113 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  10  15
TORSDOF 3