REMARK  Name = BDB045660
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.103   0.068   0.408  0.00  0.00    +0.017 A 
ATOM      2  C   LIG    1        1.022  -0.816   0.302  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -0.286  -0.387   0.573  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -0.555   0.935   0.960  0.00  0.00    -0.016 A 
ATOM      5  C   LIG    1        0.529   1.816   1.064  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        1.835   1.389   0.792  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        7.018   0.005  -0.176  0.00  0.00    +0.064 A 
ATOM      8  C   LIG    1        5.648  -0.317  -0.109  0.00  0.00    +0.102 A 
ATOM      9  C   LIG    1        5.242  -1.608  -0.425  0.00  0.00    +0.067 A 
ATOM     10  N   LIG    1        3.881  -1.589  -0.263  0.00  0.00    -0.338 N 
ATOM     11  H   LIG    1        3.268  -2.375  -0.415  0.00  0.00    +0.167 HD
ATOM     12  C   LIG    1        3.490  -0.331   0.136  0.00  0.00    +0.139 A 
ATOM     13  C   LIG    1        6.122  -2.622  -0.812  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        7.479  -2.289  -0.874  0.00  0.00    +0.003 A 
ATOM     15  N   LIG    1        4.551   0.453   0.234  0.00  0.00    -0.227 NA
ATOM     16  C   LIG    1        7.923  -1.002  -0.563  0.00  0.00    +0.015 A 
BRANCH   7  20
ATOM     17  N   LIG    1        6.619   2.303   0.516  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        6.939   3.233   0.740  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1        5.627   2.084   0.568  0.00  0.00    +0.145 HD
ATOM     20  C   LIG    1        7.530   1.357   0.145  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1        8.725   1.622   0.082  0.00  0.00    -0.270 OA
ENDBRANCH   7  20
ENDBRANCH   1  12
BRANCH   4  22
ATOM     22  C   LIG    1       -1.926   1.380   1.245  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -2.974   1.172   0.337  0.00  0.00    +0.024 A 
ATOM     24  C   LIG    1       -4.264   1.611   0.646  0.00  0.00    +0.056 A 
ATOM     25  C   LIG    1       -4.468   2.285   1.839  0.00  0.00    +0.123 A 
ATOM     26  N   LIG    1       -3.492   2.497   2.752  0.00  0.00    -0.262 NA
ATOM     27  C   LIG    1       -2.255   2.041   2.433  0.00  0.00    +0.119 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -5.397   1.442  -0.280  0.00  0.00    +0.248 C 
ATOM     29  N   LIG    1       -5.655   0.186  -0.795  0.00  0.00    -0.297 N 
ATOM     30  C   LIG    1       -5.125  -1.089  -0.329  0.00  0.00    +0.108 C 
ATOM     31  C   LIG    1       -6.135  -2.121  -0.815  0.00  0.00    +0.020 C 
ATOM     32  C   LIG    1       -6.691  -1.485  -2.082  0.00  0.00    +0.020 C 
ATOM     33  C   LIG    1       -6.769  -0.013  -1.707  0.00  0.00    +0.108 C 
ATOM     34  O   LIG    1       -6.077   2.430  -0.546  0.00  0.00    -0.270 OA
ENDBRANCH  24  28
ENDBRANCH   4  22
TORSDOF 4