REMARK  Name = BDB059952
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.382  -1.272   0.104  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1       -1.564  -0.200   0.465  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1       -0.146  -0.229   0.021  0.00  0.00    +0.124 C 
ATOM      4  C   LIG    1        0.430   1.172  -0.151  0.00  0.00    -0.019 A 
ATOM      5  C   LIG    1        0.056   2.198   0.735  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.652   3.455   0.626  0.00  0.00    +0.120 A 
ATOM      7  C   LIG    1        1.587   3.717  -0.373  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        1.929   2.715  -1.279  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -0.985   1.878   1.768  0.00  0.00    +0.058 C 
ATOM     10  C   LIG    1        1.354   1.449  -1.171  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -2.070   1.006   1.134  0.00  0.00    +0.113 C 
ATOM     12  O   LIG    1       -1.910  -2.260  -0.476  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1       -4.782  -0.401  -0.621  0.00  0.00    +0.087 C 
ATOM     14  C   LIG    1       -3.898  -1.172   0.404  0.00  0.00    +0.087 C 
ATOM     15  C   LIG    1       -4.779  -2.420   0.120  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1       -5.868  -1.482  -0.417  0.00  0.00    +0.014 C 
BRANCH  13  20
ATOM     17  N   LIG    1       -3.582  -1.128  -2.689  0.00  0.00    -0.329 N 
ATOM     18  H   LIG    1       -3.169  -0.893  -3.583  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -3.175  -1.917  -2.197  0.00  0.00    +0.145 HD
ATOM     20  C   LIG    1       -4.289  -0.135  -2.066  0.00  0.00    +0.214 C 
ATOM     21  O   LIG    1       -4.492   0.914  -2.682  0.00  0.00    -0.276 OA
ENDBRANCH  13  20
ENDBRANCH   1  14
BRANCH   6  22
ATOM     22  O   LIG    1        0.296   4.433   1.510  0.00  0.00    -0.506 OA
ATOM     23  H   LIG    1        0.818   5.229   1.320  0.00  0.00    +0.292 HD
ENDBRANCH   6  22
BRANCH   3  24
ATOM     24  C   LIG    1        0.690  -1.106   0.998  0.00  0.00    +0.144 C 
BRANCH  24  25
ATOM     25  N   LIG    1        2.123  -1.097   0.760  0.00  0.00    -0.232 N 
ATOM     26  C   LIG    1        3.032  -0.517   1.604  0.00  0.00    +0.254 C 
ATOM     27  O   LIG    1        2.851   0.039   2.670  0.00  0.00    -0.270 OA
ATOM     28  C   LIG    1        4.343  -0.694   0.984  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1        4.156  -1.373  -0.206  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1        5.209  -1.695  -1.039  0.00  0.00    +0.014 A 
ATOM     31  C   LIG    1        6.489  -1.307  -0.628  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        6.681  -0.616   0.587  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        5.596  -0.300   1.411  0.00  0.00    +0.014 A 
ATOM     34  C   LIG    1        2.723  -1.622  -0.350  0.00  0.00    +0.254 C 
ATOM     35  O   LIG    1        2.217  -2.164  -1.313  0.00  0.00    -0.270 OA
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 5