REMARK  Name = BDB063359
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.329  -0.010   0.291  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1        0.732  -1.024   1.053  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1       -0.579  -1.409   0.909  0.00  0.00    +0.173 A 
ATOM      4  N   LIG    1       -0.838  -2.388   1.752  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1        0.309  -2.641   2.472  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.351  -0.719  -0.063  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -0.704   0.234  -0.769  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        1.235  -1.809   2.050  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1        0.612   0.618  -0.603  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -2.760  -1.011  -0.374  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -3.745  -0.011  -0.252  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -5.088  -0.247  -0.558  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -5.795   0.967  -0.335  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1       -4.892   1.902   0.112  0.00  0.00    +0.083 A 
ATOM     15  C   LIG    1       -5.474  -1.531  -0.991  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -4.513  -2.542  -1.093  0.00  0.00    +0.001 A 
ATOM     17  N   LIG    1       -3.664   1.300   0.173  0.00  0.00    -0.360 N 
ATOM     18  H   LIG    1       -2.814   1.747   0.492  0.00  0.00    +0.165 HD
ATOM     19  C   LIG    1       -3.179  -2.285  -0.786  0.00  0.00    +0.011 A 
ENDBRANCH   6  10
BRANCH   1  20
ATOM     20  N   LIG    1        2.653   0.299   0.509  0.00  0.00    -0.307 N 
ATOM     21  H   LIG    1        3.257  -0.407   0.919  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.387   1.159  -0.407  0.00  0.00    +0.178 C 
BRANCH  22  25
ATOM     23  C   LIG    1        6.910   1.936   0.490  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1        5.656   2.425   0.050  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        4.816   1.333  -0.022  0.00  0.00    +0.122 A 
ATOM     26  O   LIG    1        5.487   0.203   0.353  0.00  0.00    -0.466 OA
ATOM     27  C   LIG    1        6.756   0.580   0.659  0.00  0.00    +0.195 A 
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 4